CID 10352553

106429-57-6

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

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

InChI

InChI=1S/C9H8N2O3/c1-14-8(12)5-2-3-6-7(4-5)11-9(13)10-6/h2-4H,1H3,(H2,10,11,13)

InChIKey

KZBROPAHLBJQQC-UHFFFAOYSA-N

Compound name

methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 192.0535 Da
Monoisotopic Mass: 0.4
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]+	193.06078	138.0
[M+Na]+	215.04272	150.3
[M+NH4]+	210.08732	144.4
[M+K]+	231.01666	147.5
[M-H]-	191.04622	136.9
[M+Na-2H]-	213.02817	142.6
[M]+	192.05295	139.1
[M]-	192.05405	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe