CID 26157

13637-41-7

Structural Information

Molecular Formula
C10H11NS
SMILES
CC1C2=CC=CC=C2N(C1=S)C
InChI
InChI=1S/C10H11NS/c1-7-8-5-3-4-6-9(8)11(2)10(7)12/h3-7H,1-2H3
InChIKey
TYFJUZPJHYOUES-UHFFFAOYSA-N
Compound name
1,3-dimethyl-3H-indole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

177.06122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.068496 135.4
[M+Na]+ 200.050438 146.5
[M-H]- 176.053944 139.6
[M+NH4]+ 195.095043 158.7
[M+K]+ 216.024378 142.7
[M+H-H2O]+ 160.058480 130.4
[M+HCOO]- 222.059421 152.7
[M+CH3COO]- 236.075071 149.8
[M+Na-2H]- 198.035886 137.4
[M]+ 177.06067142 137.4
[M]- 177.06176858 137.4
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