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

46
Patents

167.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 130.8
[M+Na]+ 190.047458 140.4
[M-H]- 166.050964 132.5
[M+NH4]+ 185.092063 149.7
[M+K]+ 206.021398 138.6
[M+H-H2O]+ 150.055500 124.9
[M+HCOO]- 212.056441 153.0
[M+CH3COO]- 226.072091 175.2
[M+Na-2H]- 188.032906 136.5
[M]+ 167.05769142 132.0
[M]- 167.05878858 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