CID 19816513

1,6-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CN=CC2=CC(=CN=C21)C(=O)O
InChI
InChI=1S/C9H6N2O2/c12-9(13)7-3-6-4-10-2-1-8(6)11-5-7/h1-5H,(H,12,13)
InChIKey
DTQIBVJDCJZFTK-UHFFFAOYSA-N
Compound name
1,6-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

174.04292 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05020 133.7
[M+Na]+ 197.03214 147.9
[M+NH4]+ 192.07674 141.7
[M+K]+ 213.00608 142.0
[M-H]- 173.03564 134.7
[M+Na-2H]- 195.01759 141.0
[M]+ 174.04237 135.9
[M]- 174.04347 135.9
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