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 141.6
[M+Na]+ 232.05802 149.4
[M-H]- 208.06152 140.9
[M+NH4]+ 227.10262 158.2
[M+K]+ 248.03196 145.7
[M+H-H2O]+ 192.06606 135.8
[M+HCOO]- 254.06700 157.1
[M+CH3COO]- 268.08265 179.0
[M+Na-2H]- 230.04347 145.9
[M]+ 209.06825 137.7
[M]- 209.06935 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.