CID 87116

17438-14-1

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC1=C(CC(=C(N1)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C11H15NO4/c1-6-8(10(13)15-3)5-9(7(2)12-6)11(14)16-4/h12H,5H2,1-4H3
InChIKey
FKDYIXOYTANTSV-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

225.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 148.0
[M+Na]+ 248.089328 155.9
[M-H]- 224.092834 149.4
[M+NH4]+ 243.133933 164.7
[M+K]+ 264.063268 154.8
[M+H-H2O]+ 208.097370 141.8
[M+HCOO]- 270.098311 167.0
[M+CH3COO]- 284.113961 188.2
[M+Na-2H]- 246.074776 149.4
[M]+ 225.09956142 150.0
[M]- 225.10065858 150.0
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