CID 1527023

77557-01-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CCCN1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C10H12N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13)

InChIKey

YNFLIDHXMNKSQR-UHFFFAOYSA-N

Compound name

3-propyl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 67
Patents: 176.09496 Da
Monoisotopic Mass: 1.6
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	135.9
[M+Na]+	199.08418	149.9
[M+NH4]+	194.12878	144.2
[M+K]+	215.05812	144.7
[M-H]-	175.08768	136.9
[M+Na-2H]-	197.06963	142.3
[M]+	176.09441	138.1
[M]-	176.09551	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe