CID 11745869

112110-16-4

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC1=CC(=C(N=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3
InChIKey
MKOJTLPEGLTEFM-UHFFFAOYSA-N
Compound name
dimethyl 5-methylpyridine-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

209.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.5
[M+Na]+ 232.05802 155.4
[M+NH4]+ 227.10262 149.7
[M+K]+ 248.03196 151.3
[M-H]- 208.06152 143.2
[M+Na-2H]- 230.04347 148.4
[M]+ 209.06825 144.9
[M]- 209.06935 144.9
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