CID 245983

Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCOC(=O)C1=CC(=C(N=C1C)C)C(=O)OCC
InChI
InChI=1S/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H3
InChIKey
DIIWSYPKAJVXBV-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

758
Patents

251.11575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 154.8
[M+Na]+ 274.104968 163.3
[M-H]- 250.108474 157.6
[M+NH4]+ 269.149573 171.2
[M+K]+ 290.078908 162.4
[M+H-H2O]+ 234.113010 147.9
[M+HCOO]- 296.113951 176.1
[M+CH3COO]- 310.129601 196.4
[M+Na-2H]- 272.090416 156.6
[M]+ 251.11520142 160.9
[M]- 251.11629858 160.9
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