CID 720014

4-hydroxy-6,8-dimethylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)O)C
InChI
InChI=1S/C12H11NO3/c1-6-3-7(2)10-8(4-6)11(14)9(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKey
IZUOQXWRSVPGRM-UHFFFAOYSA-N
Compound name
6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

217.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.1
[M+Na]+ 240.06312 154.7
[M-H]- 216.06662 145.8
[M+NH4]+ 235.10772 161.7
[M+K]+ 256.03706 150.4
[M+H-H2O]+ 200.07116 138.2
[M+HCOO]- 262.07210 163.2
[M+CH3COO]- 276.08775 185.7
[M+Na-2H]- 238.04857 149.1
[M]+ 217.07335 144.6
[M]- 217.07445 144.6
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

No patent data available for this compound.