CID 11579220

Methyl 2-acetylisonicotinate

Structural Information

Molecular Formula
C9H9NO3
SMILES
CC(=O)C1=NC=CC(=C1)C(=O)OC
InChI
InChI=1S/C9H9NO3/c1-6(11)8-5-7(3-4-10-8)9(12)13-2/h3-5H,1-2H3
InChIKey
VKPFTQQVEGRJCF-UHFFFAOYSA-N
Compound name
methyl 2-acetylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

179.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.3
[M+Na]+ 202.04746 148.4
[M+NH4]+ 197.09206 143.2
[M+K]+ 218.02140 143.8
[M-H]- 178.05096 136.5
[M+Na-2H]- 200.03291 142.1
[M]+ 179.05769 137.8
[M]- 179.05879 137.8
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