ISOBUTYL ISOTHIOCYANATE(591-82-2) IR2
Molecular FormulaC5H9NS
Molecular Weight115.2
InChIInChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
InChIKey NSDDRJXKROCWRZ-UHFFFAOYSA-N
SmilesC(N=C=S)C(C)C
-
![](https://www.chemicalbook.com/Spectrum/591-82-2_MS.gif)
Mass
MS-NW-8691
isobutyl isothiocyanate
C5H9NS (Mass of molecular ion: 115)
Source Temperature: 270 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 1.5
26.0 1.4
27.0 21.3
28.0 5.8
29.0 37.5
30.0 8.1
31.0 1.5
32.0 1.0
37.0 1.0
38.0 2.3
39.0 20.6
40.0 3.6
41.0 79.7
42.0 5.3
43.0 52.8
44.0 4.0
45.0 13.8
46.0 4.8
51.0 1.0
53.0 1.7
55.0 8.1
56.0 24.0
57.0 62.7
58.0 3.9
59.0 3.2
60.0 2.3
70.0 1.9
71.0 2.3
72.0 33.9
73.0 41.3
74.0 4.0
75.0 2.0
86.0 3.4
100.0 2.4
102.0 4.7
115.0 100.0
116.0 7.4
117.0 4.7