CID 19002737

90417-51-9

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

C1=CC2=C(C=C1CC(=O)O)NC(=O)N2

InChI

InChI=1S/C9H8N2O3/c12-8(13)4-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14)

InChIKey

OAFRCZCYWOFYGI-UHFFFAOYSA-N

Compound name

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 192.0535 Da
Monoisotopic Mass: 0.0
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]+	193.06078	138.3
[M+Na]+	215.04272	150.0
[M+NH4]+	210.08732	144.4
[M+K]+	231.01666	147.5
[M-H]-	191.04622	136.7
[M+Na-2H]-	213.02817	142.2
[M]+	192.05295	139.1
[M]-	192.05405	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe