CID 257964

2-oxo-3-(quinolin-2-yl)propanoic acid

Structural Information

Molecular Formula

C₁₂H₉NO₃

SMILES

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

InChI

InChI=1S/C12H9NO3/c14-11(12(15)16)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-6H,7H2,(H,15,16)

InChIKey

PBCZPMGLYKFSIF-UHFFFAOYSA-N

Compound name

2-oxo-3-quinolin-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 215.05824 Da
Monoisotopic Mass: 1.6
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]+	216.06552	144.7
[M+Na]+	238.04746	157.7
[M+NH4]+	233.09206	152.1
[M+K]+	254.02140	152.1
[M-H]-	214.05096	145.5
[M+Na-2H]-	236.03291	150.8
[M]+	215.05769	146.6
[M]-	215.05879	146.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.