CID 135964599

Chembl1682442

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC1=NC2=C(C=C1)C(=C(C=C2)C(=O)O)O
InChI
InChI=1S/C11H9NO3/c1-6-2-3-7-9(12-6)5-4-8(10(7)13)11(14)15/h2-5,13H,1H3,(H,14,15)
InChIKey
VUKWLYLGIHTCKZ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methylquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

203.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 140.7
[M+Na]+ 226.04746 150.5
[M-H]- 202.05096 142.1
[M+NH4]+ 221.09206 158.6
[M+K]+ 242.02140 147.0
[M+H-H2O]+ 186.05550 134.6
[M+HCOO]- 248.05644 160.0
[M+CH3COO]- 262.07209 182.1
[M+Na-2H]- 224.03291 146.9
[M]+ 203.05769 141.1
[M]- 203.05879 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.