CID 13288769

39513-27-4

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

CC(=O)C1=CC2=C(C=C1)NC(=O)N2

InChI

InChI=1S/C9H8N2O2/c1-5(12)6-2-3-7-8(4-6)11-9(13)10-7/h2-4H,1H3,(H2,10,11,13)

InChIKey

WHQVLSZDGFJRJL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 176.05858 Da
Monoisotopic Mass: 0.2
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]+	177.06586	134.6
[M+Na]+	199.04780	147.4
[M+NH4]+	194.09240	141.6
[M+K]+	215.02174	144.0
[M-H]-	175.05130	134.0
[M+Na-2H]-	197.03325	139.7
[M]+	176.05803	136.0
[M]-	176.05913	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe