CID 137963801

2-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridine-4-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1CC2=C(NC1)NC(=O)C=C2C(=O)O
InChI
InChI=1S/C9H10N2O3/c12-7-4-6(9(13)14)5-2-1-3-10-8(5)11-7/h4H,1-3H2,(H,13,14)(H2,10,11,12)
InChIKey
FFSVSEGXPNZITR-UHFFFAOYSA-N
Compound name
2-oxo-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.6
[M+Na]+ 217.058358 147.1
[M-H]- 193.061864 137.3
[M+NH4]+ 212.102963 155.2
[M+K]+ 233.032298 142.8
[M+H-H2O]+ 177.066400 133.1
[M+HCOO]- 239.067341 154.0
[M+CH3COO]- 253.082991 175.3
[M+Na-2H]- 215.043806 145.1
[M]+ 194.06859142 134.0
[M]- 194.06968858 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

No patent data available for this compound.