CID 264736

67752-29-8

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC=C2C(=C1)C(=CC=N2)CCC(=O)O

InChI

InChI=1S/C12H11NO2/c14-12(15)6-5-9-7-8-13-11-4-2-1-3-10(9)11/h1-4,7-8H,5-6H2,(H,14,15)

InChIKey

IWJZVWBVDNIJIL-UHFFFAOYSA-N

Compound name

3-quinolin-4-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 201.07898 Da
Monoisotopic Mass: 2.0
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]+	202.08626	142.7
[M+Na]+	224.06820	156.5
[M+NH4]+	219.11280	151.1
[M+K]+	240.04214	149.6
[M-H]-	200.07170	144.5
[M+Na-2H]-	222.05365	149.7
[M]+	201.07843	145.1
[M]-	201.07953	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe