D-alpha-Amino-epsilon-caprolactam(28957-33-7) IR2
Molecular FormulaC6H12N2O
Molecular Weight128.17
InChIInChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1
InChIKey BOWUOGIPSRVRSJ-RXMQYKEDSA-N
SmilesN1CCCC[C@@H](N)C1=O
-
Mass
MS-NW-8001
D-(+)-alpha-amino-epsilon-caprolactam
C6H12N2O (Mass of molecular ion: 128)
Source Temperature: 140 °C
Sample Temperature: 70 °C
Direct, 75 eV
15.0 5.5
17.0 1.5
18.0 7.7
26.0 1.8
27.0 11.7
28.0 36.1
29.0 13.9
30.0 49.8
31.0 1.1
38.0 1.0
39.0 8.3
40.0 2.0
41.0 11.5
42.0 14.4
43.0 67.2
44.0 19.3
45.0 2.6
53.0 2.0
54.0 4.6
55.0 5.4
56.0 100.0
57.0 17.8
58.0 7.9
59.0 1.2
66.0 1.1
67.0 1.9
68.0 3.0
69.0 1.8
70.0 13.8
71.0 18.3
72.0 25.7
73.0 1.5
81.0 2.3
82.0 28.5
83.0 56.3
84.0 10.2
85.0 1.3
99.0 7.9
100.0 5.3
110.0 5.5
111.0 9.5
128.0 8.2
129.0 3.2