CID 82784180

1547093-99-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

CCN1C2=C(C=CC(=C2)C(=O)O)NC1=O

InChI

InChI=1S/C10H10N2O3/c1-2-12-8-5-6(9(13)14)3-4-7(8)11-10(12)15/h3-5H,2H2,1H3,(H,11,15)(H,13,14)

InChIKey

SRKAYPNQWBNHTG-UHFFFAOYSA-N

Compound name

3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.06914 Da
Monoisotopic Mass: 0.6
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]+	207.07642	142.3
[M+Na]+	229.05836	154.7
[M+NH4]+	224.10296	148.6
[M+K]+	245.03230	151.9
[M-H]-	205.06186	141.3
[M+Na-2H]-	227.04381	146.4
[M]+	206.06859	143.5
[M]-	206.06969	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe