CID 21885909

1-cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC1N2C=C(C=CC2=O)C(=O)O
InChI
InChI=1S/C9H9NO3/c11-8-4-1-6(9(12)13)5-10(8)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKey
WTEIFYMIOHDHRC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

179.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 138.8
[M+Na]+ 202.04746 152.7
[M+NH4]+ 197.09206 146.6
[M+K]+ 218.02140 149.1
[M-H]- 178.05096 147.1
[M+Na-2H]- 200.03291 147.6
[M]+ 179.05769 144.1
[M]- 179.05879 144.1
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

patents stripe