CID 26156

1,3-dihydro-1-methyl-2h-indole-2-thione

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

17
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 131.3
[M+Na]+ 186.03480 142.0
[M-H]- 162.03830 135.3
[M+NH4]+ 181.07940 154.9
[M+K]+ 202.00874 138.4
[M+H-H2O]+ 146.04284 126.2
[M+HCOO]- 208.04378 149.0
[M+CH3COO]- 222.05943 145.8
[M+Na-2H]- 184.02025 134.5
[M]+ 163.04503 132.5
[M]- 163.04613 132.5
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