CID 70682886

90689-38-6

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2)CC(=O)O

InChI

InChI=1S/C11H9NO3/c13-10(14)5-7-6-12-9-4-2-1-3-8(9)11(7)15/h1-4,6H,5H2,(H,12,15)(H,13,14)

InChIKey

YKPFHZMZCANZBT-UHFFFAOYSA-N

Compound name

2-(4-oxo-1H-quinolin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 203.05824 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]+	204.06552	140.0
[M+Na]+	226.04746	149.1
[M-H]-	202.05096	141.0
[M+NH4]+	221.09206	157.5
[M+K]+	242.02140	144.9
[M+H-H2O]+	186.05550	133.7
[M+HCOO]-	248.05644	159.5
[M+CH3COO]-	262.07209	180.1
[M+Na-2H]-	224.03291	147.0
[M]+	203.05769	139.3
[M]-	203.05879	139.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.