CID 816810

53515-19-8

Structural Information

Molecular Formula
C8H9NS
SMILES
CC1=CC=CC=C1C(=S)N
InChI
InChI=1S/C8H9NS/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
DEFUMLHLEJNWIO-UHFFFAOYSA-N
Compound name
2-methylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

151.04558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05286 130.0
[M+Na]+ 174.03480 142.1
[M+NH4]+ 169.07940 139.7
[M+K]+ 190.00874 133.8
[M-H]- 150.03830 133.4
[M+Na-2H]- 172.02025 136.8
[M]+ 151.04503 133.2
[M]- 151.04613 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe