CID 11651286

4-aminoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)C(=O)O)N
InChI
InChI=1S/C10H8N2O2/c11-9-6-3-1-2-4-8(6)12-5-7(9)10(13)14/h1-5H,(H2,11,12)(H,13,14)
InChIKey
UEFKMJWKPVAVND-UHFFFAOYSA-N
Compound name
4-aminoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

188.05858 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe