CID 90767300

4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1CNC2=CC=CC(=C2C1=O)C(=O)O
InChI
InChI=1S/C10H9NO3/c12-8-4-5-11-7-3-1-2-6(9(7)8)10(13)14/h1-3,11H,4-5H2,(H,13,14)
InChIKey
LPWBLDPEQCXHBN-UHFFFAOYSA-N
Compound name
4-oxo-2,3-dihydro-1H-quinoline-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

191.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 137.9
[M+Na]+ 214.047458 145.4
[M-H]- 190.050964 138.3
[M+NH4]+ 209.092063 155.7
[M+K]+ 230.021398 141.9
[M+H-H2O]+ 174.055500 131.9
[M+HCOO]- 236.056441 154.8
[M+CH3COO]- 250.072091 177.7
[M+Na-2H]- 212.032906 143.4
[M]+ 191.05769142 134.0
[M]- 191.05878858 134.0
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

patents stripe