CID 10243

Quinoline-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

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

InChI

InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)

InChIKey

VQMSRUREDGBWKT-UHFFFAOYSA-N

Compound name

quinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 63
References: 3572
Patents: 173.04768 Da
Monoisotopic Mass: 0.5
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]+	174.054956	132.7
[M+Na]+	196.036898	141.6
[M-H]-	172.040404	134.9
[M+NH4]+	191.081503	152.0
[M+K]+	212.010838	138.6
[M+H-H2O]+	156.044940	126.3
[M+HCOO]-	218.045881	153.7
[M+CH3COO]-	232.061531	177.0
[M+Na-2H]-	194.022346	141.4
[M]+	173.04713142	132.3
[M]-	173.04822858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe