AMINOMALONONITRILE P-TOLUENESULFONATE(5098-14-6) Raman
Molecular FormulaC10H11N3O3S
Molecular Weight253.28
InChIInChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChIKey MEUWQVWJLLBVQI-UHFFFAOYSA-N
SmilesC1(S(=O)(=O)O)C=CC(C)=CC=1.C(N)(C#N)C#N
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Mass
MS-IW-0058
aminomalononitrile p-toluenesulfonate
C3H3N3 C7H8O3S (Mass of molecular ion: 253)
Source Temperature: 200 °C
Sample Temperature: 120 °C
Direct, 75 eV
17.0 1.3
18.0 6.3
26.0 1.5
27.0 6.5
28.0 16.9
29.0 2.5
38.0 6.6
39.0 15.1
40.0 1.5
41.0 3.4
50.0 4.4
51.0 6.5
52.0 3.7
53.0 19.3
54.0 34.0
55.0 30.9
56.0 1.2
61.0 1.0
62.0 3.5
63.0 10.3
64.0 3.9
65.0 37.7
66.0 2.9
74.0 1.2
75.0 1.0
77.0 15.0
78.0 2.1
79.0 17.1
80.0 39.9
81.0 24.3
82.0 1.3
89.0 11.9
90.0 11.2
91.0 100.0
92.0 8.7
107.0 46.0
108.0 34.1
109.0 2.7
155.0 6.0
172.0 89.6
173.0 9.0
174.0 5.1