CID 44891517

5-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)O)O
InChI
InChI=1S/C10H11NO4/c12-8-3-1-2-7-5(8)4-6(10(14)15)9(13)11-7/h4,8,12H,1-3H2,(H,11,13)(H,14,15)
InChIKey
VPVVRSVZMGAULY-UHFFFAOYSA-N
Compound name
5-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.6
[M+Na]+ 232.05802 153.5
[M+NH4]+ 227.10262 149.0
[M+K]+ 248.03196 149.6
[M-H]- 208.06152 141.8
[M+Na-2H]- 230.04347 145.4
[M]+ 209.06825 143.5
[M]- 209.06935 143.5
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.