CID 8352

3-hydroxyquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)O)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-8-5-11-7-4-2-1-3-6(7)9(8)10(13)14/h1-5,12H,(H,13,14)
InChIKey
MXNVEJDRXSFZQB-UHFFFAOYSA-N
Compound name
3-hydroxyquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

158
Patents

189.04259 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 136.1
[M+Na]+ 212.031808 145.4
[M-H]- 188.035314 137.4
[M+NH4]+ 207.076413 154.3
[M+K]+ 228.005748 142.1
[M+H-H2O]+ 172.039850 130.1
[M+HCOO]- 234.040791 155.8
[M+CH3COO]- 248.056441 177.8
[M+Na-2H]- 210.017256 143.7
[M]+ 189.04204142 135.8
[M]- 189.04313858 135.8
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