CID 13016877

1-(3-hydroxypropyl)-1h-benzo[d]imidazol-2(3h)-one

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCO

InChI

InChI=1S/C10H12N2O2/c13-7-3-6-12-9-5-2-1-4-8(9)11-10(12)14/h1-2,4-5,13H,3,6-7H2,(H,11,14)

InChIKey

GNCQCMAOLWLYOU-UHFFFAOYSA-N

Compound name

3-(3-hydroxypropyl)-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 192.08987 Da
Monoisotopic Mass: 0.4
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]+	193.09715	139.0
[M+Na]+	215.07909	149.6
[M-H]-	191.08259	139.0
[M+NH4]+	210.12369	157.8
[M+K]+	231.05303	145.0
[M+H-H2O]+	175.08713	132.4
[M+HCOO]-	237.08807	160.3
[M+CH3COO]-	251.10372	177.3
[M+Na-2H]-	213.06454	145.8
[M]+	192.08932	140.5
[M]-	192.09042	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe