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]+ 195.07642 139.6
[M+Na]+ 217.05836 147.1
[M-H]- 193.06186 137.3
[M+NH4]+ 212.10296 155.2
[M+K]+ 233.03230 142.8
[M+H-H2O]+ 177.06640 133.1
[M+HCOO]- 239.06734 154.0
[M+CH3COO]- 253.08299 175.3
[M+Na-2H]- 215.04381 145.1
[M]+ 194.06859 134.0
[M]- 194.06969 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.