CID 1538716

124530-70-7

Structural Information

Molecular Formula

C₁₀H₁₂N₂S

SMILES

CC(C)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C10H12N2S/c1-7(2)13-10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)

InChIKey

LTAKQCSXVMTUGQ-UHFFFAOYSA-N

Compound name

2-propan-2-ylsulfanyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 13
Patents: 192.07211 Da
Monoisotopic Mass: 2.9
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]+	193.07939	139.2
[M+Na]+	215.06133	149.7
[M-H]-	191.06483	140.7
[M+NH4]+	210.10593	159.5
[M+K]+	231.03527	145.5
[M+H-H2O]+	175.06937	133.2
[M+HCOO]-	237.07031	155.5
[M+CH3COO]-	251.08596	152.4
[M+Na-2H]-	213.04678	142.9
[M]+	192.07156	142.0
[M]-	192.07266	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe