CID 194859

3-hydroxyquinaldate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1171
Patents

189.04259 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 136.1
[M+Na]+ 212.03181 145.4
[M-H]- 188.03531 137.4
[M+NH4]+ 207.07641 154.3
[M+K]+ 228.00575 142.1
[M+H-H2O]+ 172.03985 130.1
[M+HCOO]- 234.04079 155.8
[M+CH3COO]- 248.05644 177.8
[M+Na-2H]- 210.01726 143.7
[M]+ 189.04204 135.8
[M]- 189.04314 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