CID 26156

13637-38-2

Structural Information

Molecular Formula
C9H9NS
SMILES
CN1C(=S)CC2=CC=CC=C21
InChI
InChI=1S/C9H9NS/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3
InChIKey
GBSPZRWQIJCQQB-UHFFFAOYSA-N
Compound name
1-methyl-3H-indole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

163.04558 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05286 132.9
[M+Na]+ 186.03480 146.0
[M+NH4]+ 181.07940 143.4
[M+K]+ 202.00874 138.3
[M-H]- 162.03830 135.7
[M+Na-2H]- 184.02025 138.5
[M]+ 163.04503 136.1
[M]- 163.04613 136.1
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