CID 13251784

3273-68-5

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCC(=O)O

InChI

InChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)

InChIKey

PTNUQSFEJXMNOQ-UHFFFAOYSA-N

Compound name

4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 220.0848 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]+	221.09208	146.8
[M+Na]+	243.07402	158.7
[M+NH4]+	238.11862	152.9
[M+K]+	259.04796	155.4
[M-H]-	219.07752	145.7
[M+Na-2H]-	241.05947	150.9
[M]+	220.08425	147.8
[M]-	220.08535	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe