CID 661355

75655-45-7

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)O

InChI

InChI=1S/C11H12N2O3/c1-12-8-4-2-3-5-9(8)13(11(12)16)7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)

InChIKey

GKRUPQCGSGTQDB-UHFFFAOYSA-N

Compound name

3-(3-methyl-2-oxobenzimidazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 220.0848 Da
Monoisotopic Mass: 1.0
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]+	221.09208	146.2
[M+Na]+	243.07402	159.1
[M+NH4]+	238.11862	152.7
[M+K]+	259.04796	155.7
[M-H]-	219.07752	145.7
[M+Na-2H]-	241.05947	150.7
[M]+	220.08425	147.7
[M]-	220.08535	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe