CID 75470

2403-66-9

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1=CC=C2C(=C1)NC(=N2)CCCO

InChI

InChI=1S/C10H12N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)

InChIKey

CQFSGSFSOWEIGO-UHFFFAOYSA-N

Compound name

3-(1H-benzimidazol-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 111
Patents: 176.09496 Da
Monoisotopic Mass: 1.2
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]+	177.10224	136.8
[M+Na]+	199.08418	149.8
[M+NH4]+	194.12878	144.9
[M+K]+	215.05812	144.8
[M-H]-	175.08768	137.3
[M+Na-2H]-	197.06963	142.9
[M]+	176.09441	138.6
[M]-	176.09551	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe