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

11
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 136.8
[M+Na]+ 202.04746 147.7
[M-H]- 178.05096 142.5
[M+NH4]+ 197.09206 150.3
[M+K]+ 218.02140 144.1
[M+H-H2O]+ 162.05550 130.1
[M+HCOO]- 224.05644 159.1
[M+CH3COO]- 238.07209 180.9
[M+Na-2H]- 200.03291 142.2
[M]+ 179.05769 139.6
[M]- 179.05879 139.6
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