CID 11745869

Dimethyl 5-methylpyridine-2,3-dicarboxylate

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

103
Patents

209.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 141.6
[M+Na]+ 232.058018 150.5
[M-H]- 208.061524 144.6
[M+NH4]+ 227.102623 159.5
[M+K]+ 248.031958 150.2
[M+H-H2O]+ 192.066060 135.0
[M+HCOO]- 254.067001 163.9
[M+CH3COO]- 268.082651 186.1
[M+Na-2H]- 230.043466 145.7
[M]+ 209.06825142 146.2
[M]- 209.06934858 146.2
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