CID 3890819

1101183-40-7

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCCC1=NC2=CC=CC=C2N1C(C)C(=O)O

InChI

InChI=1S/C13H16N2O2/c1-3-6-12-14-10-7-4-5-8-11(10)15(12)9(2)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)

InChIKey

OFYZINWGFMTKOQ-UHFFFAOYSA-N

Compound name

2-(2-propylbenzimidazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 232.12119 Da
Monoisotopic Mass: 2.7
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]+	233.12847	152.3
[M+Na]+	255.11041	164.4
[M+NH4]+	250.15501	159.2
[M+K]+	271.08435	160.8
[M-H]-	231.11391	152.2
[M+Na-2H]-	253.09586	156.7
[M]+	232.12064	153.8
[M]-	232.12174	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.