CID 95561996

99055-33-1

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1=CC=C2C(=C1)NC(=O)N2CO

InChI

InChI=1S/C8H8N2O2/c11-5-10-7-4-2-1-3-6(7)9-8(10)12/h1-4,11H,5H2,(H,9,12)

InChIKey

LTYSLJOZKJMYBE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.05858 Da
Monoisotopic Mass: 0.7
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]+	165.06586	130.7
[M+Na]+	187.04780	144.0
[M+NH4]+	182.09240	138.3
[M+K]+	203.02174	140.2
[M-H]-	163.05130	130.6
[M+Na-2H]-	185.03325	136.5
[M]+	164.05803	132.3
[M]-	164.05913	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.