1-氨基-1-羟基甲基环戊烷(10316-79-7)质谱(MS)
InChI:InChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2
InChIKey: PDNZJLMPXLQDPL-UHFFFAOYSA-N
Smiles:C1(N)(CO)CCCC1
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Mass
MS-NW-5770
1-amino-1-cyclopentanemethanol
C6H13NO (Mass of molecular ion: 115)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 2.1
17.0 1.9
18.0 9.2
27.0 4.4
28.0 7.3
29.0 2.8
30.0 12.0
31.0 3.1
39.0 5.5
40.0 1.0
41.0 15.1
42.0 11.2
43.0 3.1
44.0 3.0
45.0 2.2
53.0 1.5
54.0 5.7
55.0 3.3
56.0 9.6
57.0 2.9
65.0 1.3
67.0 17.0
68.0 5.9
69.0 3.8
70.0 1.7
72.0 3.7
73.0 12.1
79.0 1.0
80.0 1.0
81.0 1.2
82.0 3.0
83.0 1.0
84.0 100.0
85.0 6.4
86.0 13.6
87.0 3.7
96.0 1.7
97.0 1.0
98.0 7.9
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H13 N O
|
0.044 g : 0.5 ml CDCl3
|
| 1-amino-1-cyclopentanemethanol
|
 |
Assign. Shift(ppm)
A 3.385
B 3.30
C 1.75
D 1.61
E 1.42
90MHZ : HSP-02-633
|
Hz ppm Int.
1365.84 3.418 34
1364.26 3.414 40
1353.03 3.386 1000
1319.70 3.303 105
709.35 1.775 51
707.52 1.771 62
703.00 1.760 128
701.66 1.756 137
698.61 1.749 135
696.29 1.743 101
692.99 1.734 90
689.45 1.726 72
687.13 1.720 62
686.40 1.718 63
682.25 1.708 40
677.73 1.696 30
673.58 1.686 30
670.29 1.678 33
669.92 1.677 33
667.60 1.671 35
666.63 1.669 35
665.53 1.666 33
660.89 1.654 78
659.42 1.650 86
652.95 1.634 144
652.10 1.632 144
647.34 1.620 176
643.55 1.611 237
641.36 1.605 315
639.28 1.600 288
633.79 1.586 97
631.35 1.580 75
628.30 1.573 49
627.93 1.572 49
625.61 1.566 36
624.88 1.564 35
623.29 1.560 32
578.74 1.449 110
576.78 1.444 92
575.07 1.439 104
573.24 1.435 74
569.34 1.425 80
567.38 1.420 136
566.77 1.419 137
564.94 1.414 100
563.35 1.410 93
562.01 1.407 93
560.91 1.404 80
559.08 1.399 62
555.66 1.391 31
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| 1H NMR |
89.56 MHz |
| C6 H13 N O
|
0.046 g : 0.5 ml CDCl3
|
| 1-amino-1-cyclopentanemethanol
|
|
Assign. Shift(ppm)
A 3.394
B 2.70
C 1.73 to 1.34
|
Hz ppm Int.
304.00 3.395 1000
241.94 2.702 877
160.19 1.789 42
158.69 1.772 47
154.63 1.727 108
153.06 1.710 166
149.81 1.673 206
148.75 1.661 231
146.63 1.638 164
145.38 1.624 117
144.38 1.613 137
141.75 1.583 228
140.13 1.565 188
138.44 1.546 138
136.81 1.528 119
135.19 1.510 90
134.00 1.497 88
133.44 1.490 86
131.63 1.470 71
127.94 1.429 31
125.44 1.401 48
124.50 1.391 60
122.81 1.372 37
121.56 1.358 40