CID 1653580

35681-40-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC(C)N1C2=CC=CC=C2NC1=O

InChI

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

InChIKey

IKWYGATUQXCBFU-UHFFFAOYSA-N

Compound name

3-propan-2-yl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 300
Patents: 176.09496 Da
Monoisotopic Mass: 1.5
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	135.7
[M+Na]+	199.08418	146.6
[M-H]-	175.08768	137.2
[M+NH4]+	194.12878	156.0
[M+K]+	215.05812	142.8
[M+H-H2O]+	159.09222	129.3
[M+HCOO]-	221.09316	157.4
[M+CH3COO]-	235.10881	178.6
[M+Na-2H]-	197.06963	141.8
[M]+	176.09441	137.1
[M]-	176.09551	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe