CID 69248921

Methyl 4-acetylpicolinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 134.7
[M+Na]+ 202.04746 143.1
[M-H]- 178.05096 137.4
[M+NH4]+ 197.09206 153.4
[M+K]+ 218.02140 142.5
[M+H-H2O]+ 162.05550 128.2
[M+HCOO]- 224.05644 157.1
[M+CH3COO]- 238.07209 180.4
[M+Na-2H]- 200.03291 139.9
[M]+ 179.05769 137.1
[M]- 179.05879 137.1
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