CID 780757

23814-14-4

Structural Information

Molecular Formula

C₈H₆N₂O₃

SMILES

C1=CC2=C(C=C1C(=O)O)NC(=O)N2

InChI

InChI=1S/C8H6N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)

InChIKey

YIGYJEWJHOCKSR-UHFFFAOYSA-N

Compound name

2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 210
Patents: 178.03784 Da
Monoisotopic Mass: 0.1
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]+	179.04512	133.8
[M+Na]+	201.02706	145.7
[M+NH4]+	196.07166	140.0
[M+K]+	217.00100	143.5
[M-H]-	177.03056	132.2
[M+Na-2H]-	199.01251	138.0
[M]+	178.03729	134.6
[M]-	178.03839	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe