CID 10465564

634602-84-9

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

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

InChI

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

InChIKey

OUTDXJNOFZUMGN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 206.06914 Da
Monoisotopic Mass: 0.8
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	141.4
[M+Na]+	229.05836	151.9
[M-H]-	205.06186	141.6
[M+NH4]+	224.10296	159.5
[M+K]+	245.03230	147.8
[M+H-H2O]+	189.06640	135.0
[M+HCOO]-	251.06734	162.1
[M+CH3COO]-	265.08299	178.8
[M+Na-2H]-	227.04381	147.1
[M]+	206.06859	143.0
[M]-	206.06969	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe