CID 576526

5805-53-8

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

COC(=O)C1=NC2=CC=CC=C2N1

InChI

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

InChIKey

LKUBWDNDGBVKFK-UHFFFAOYSA-N

Compound name

methyl 1H-benzimidazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 162
Patents: 176.05858 Da
Monoisotopic Mass: 1.4
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	147.6
[M+NH4]+	194.09240	142.3
[M+K]+	215.02174	143.8
[M-H]-	175.05130	134.8
[M+Na-2H]-	197.03325	140.7
[M]+	176.05803	136.3
[M]-	176.05913	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe