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]+ 210.076076 141.6
[M+Na]+ 232.058018 149.4
[M-H]- 208.061524 140.9
[M+NH4]+ 227.102623 158.2
[M+K]+ 248.031958 145.7
[M+H-H2O]+ 192.066060 135.8
[M+HCOO]- 254.067001 157.1
[M+CH3COO]- 268.082651 179.0
[M+Na-2H]- 230.043466 145.9
[M]+ 209.06825142 137.7
[M]- 209.06934858 137.7
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.