CID 160716

7-hydroxynalidixic acid

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CCN1C=C(C(=O)C2=C1N=C(C=C2)CO)C(=O)O
InChI
InChI=1S/C12H12N2O4/c1-2-14-5-9(12(17)18)10(16)8-4-3-7(6-15)13-11(8)14/h3-5,15H,2,6H2,1H3,(H,17,18)
InChIKey
FRJDYPGZHOEEKU-UHFFFAOYSA-N
Compound name
1-ethyl-7-(hydroxymethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

248.07971 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 153.6
[M+Na]+ 271.06893 166.7
[M+NH4]+ 266.11353 159.3
[M+K]+ 287.04287 162.0
[M-H]- 247.07243 152.9
[M+Na-2H]- 269.05438 157.6
[M]+ 248.07916 155.0
[M]- 248.08026 155.0
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

patents stripe