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: 7
Patents: 177.06122 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.06850	135.4
[M+Na]+	200.05044	146.5
[M-H]-	176.05394	139.6
[M+NH4]+	195.09504	158.7
[M+K]+	216.02438	142.7
[M+H-H2O]+	160.05848	130.4
[M+HCOO]-	222.05942	152.7
[M+CH3COO]-	236.07507	149.8
[M+Na-2H]-	198.03589	137.4
[M]+	177.06067	137.4
[M]-	177.06177	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe