CID 17139289

64826-44-4

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C

InChI

InChI=1S/C11H12N2O2/c1-7(14)8-4-5-9-10(6-8)13(3)11(15)12(9)2/h4-6H,1-3H3

InChIKey

WRGKJJMOWIEJHK-UHFFFAOYSA-N

Compound name

5-acetyl-1,3-dimethylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 204.08987 Da
Monoisotopic Mass: 1.1
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]+	205.09715	140.7
[M+Na]+	227.07909	153.6
[M-H]-	203.08259	144.3
[M+NH4]+	222.12369	161.0
[M+K]+	243.05303	150.5
[M+H-H2O]+	187.08713	134.4
[M+HCOO]-	249.08807	163.9
[M+CH3COO]-	263.10372	187.8
[M+Na-2H]-	225.06454	145.5
[M]+	204.08932	145.8
[M]-	204.09042	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe