CID 43829327

6-aminoquinoline-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC2=NC=CC(=C2C=C1N)C(=O)O

InChI

InChI=1S/C10H8N2O2/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9/h1-5H,11H2,(H,13,14)

InChIKey

KSHIJZQFESWNKY-UHFFFAOYSA-N

Compound name

6-aminoquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 188.05858 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]+	189.06586	137.2
[M+Na]+	211.04780	146.1
[M-H]-	187.05130	139.2
[M+NH4]+	206.09240	155.5
[M+K]+	227.02174	142.7
[M+H-H2O]+	171.05584	130.7
[M+HCOO]-	233.05678	158.5
[M+CH3COO]-	247.07243	182.6
[M+Na-2H]-	209.03325	144.5
[M]+	188.05803	135.5
[M]-	188.05913	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe