CID 11788501

223788-08-7

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=C(C=CC(=O)N1)C(=O)OC
InChI
InChI=1S/C8H9NO3/c1-5-6(8(11)12-2)3-4-7(10)9-5/h3-4H,1-2H3,(H,9,10)
InChIKey
NYZKFYQERYBEAB-UHFFFAOYSA-N
Compound name
methyl 2-methyl-6-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

167.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 130.8
[M+Na]+ 190.04746 140.4
[M-H]- 166.05096 132.5
[M+NH4]+ 185.09206 149.7
[M+K]+ 206.02140 138.6
[M+H-H2O]+ 150.05550 124.9
[M+HCOO]- 212.05644 153.0
[M+CH3COO]- 226.07209 175.2
[M+Na-2H]- 188.03291 136.5
[M]+ 167.05769 132.0
[M]- 167.05879 132.0
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