CID 720070

2416-65-1

Structural Information

Molecular Formula

C₁₀H₁₂N₂S

SMILES

CC(C)N1C2=CC=CC=C2NC1=S

InChI

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

InChIKey

BIYKMLUIQQIMGB-UHFFFAOYSA-N

Compound name

3-propan-2-yl-1H-benzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 70
Patents: 192.07211 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]+	193.07939	140.2
[M+Na]+	215.06133	153.8
[M+NH4]+	210.10593	149.2
[M+K]+	231.03527	146.7
[M-H]-	191.06483	141.7
[M+Na-2H]-	213.04678	145.7
[M]+	192.07156	143.0
[M]-	192.07266	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe