CID 253823

4-hydroxy-6-methylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC1=CC2=C(C=C1)NC=C(C2=O)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
MBHYBSDKDMRZAA-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

28
Patents

203.05824 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 141.0
[M+Na]+ 226.04746 154.7
[M+NH4]+ 221.09206 148.3
[M+K]+ 242.02140 149.2
[M-H]- 202.05096 141.6
[M+Na-2H]- 224.03291 146.5
[M]+ 203.05769 143.0
[M]- 203.05879 143.0
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