CID 165610844

Methyl 3-(6-methoxy-5-methylpyridin-3-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC1=CC(=CN=C1OC)C(=O)CC(=O)OC
InChI
InChI=1S/C11H13NO4/c1-7-4-8(6-12-11(7)16-3)9(13)5-10(14)15-2/h4,6H,5H2,1-3H3
InChIKey
VSYXQGYLEWDIAW-UHFFFAOYSA-N
Compound name
methyl 3-(6-methoxy-5-methylpyridin-3-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 146.1
[M+Na]+ 246.07368 154.5
[M-H]- 222.07718 148.8
[M+NH4]+ 241.11828 163.3
[M+K]+ 262.04762 153.9
[M+H-H2O]+ 206.08172 139.3
[M+HCOO]- 268.08266 168.1
[M+CH3COO]- 282.09831 189.8
[M+Na-2H]- 244.05913 149.7
[M]+ 223.08391 151.1
[M]- 223.08501 151.1
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

No patent data available for this compound.