CID 854175

27525-74-2

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC1=C(C=C(C(=N1)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C11H13NO4/c1-6-8(10(13)15-3)5-9(7(2)12-6)11(14)16-4/h5H,1-4H3
InChIKey
UTGAVWVWCKHFRU-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

223.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 145.3
[M+Na]+ 246.073678 154.7
[M-H]- 222.077184 148.5
[M+NH4]+ 241.118283 162.9
[M+K]+ 262.047618 154.3
[M+H-H2O]+ 206.081720 138.9
[M+HCOO]- 268.082661 167.3
[M+CH3COO]- 282.098311 190.4
[M+Na-2H]- 244.059126 148.2
[M]+ 223.08391142 150.7
[M]- 223.08500858 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe