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]+ 218.081176 144.1
[M+Na]+ 240.063118 154.7
[M-H]- 216.066624 145.8
[M+NH4]+ 235.107723 161.7
[M+K]+ 256.037058 150.4
[M+H-H2O]+ 200.071160 138.2
[M+HCOO]- 262.072101 163.2
[M+CH3COO]- 276.087751 185.7
[M+Na-2H]- 238.048566 149.1
[M]+ 217.07335142 144.6
[M]- 217.07444858 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.