CID 2818324

55536-69-1

Structural Information

Molecular Formula
C12H17NO4
SMILES
CC1C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC
InChI
InChI=1S/C12H17NO4/c1-6-9(11(14)16-4)7(2)13-8(3)10(6)12(15)17-5/h6,13H,1-5H3
InChIKey
BYZKBWPZYGLLTA-UHFFFAOYSA-N
Compound name
dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

239.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 151.6
[M+Na]+ 262.104968 160.1
[M-H]- 238.108474 153.2
[M+NH4]+ 257.149573 168.2
[M+K]+ 278.078908 158.8
[M+H-H2O]+ 222.113010 145.7
[M+HCOO]- 284.113951 170.3
[M+CH3COO]- 298.129601 192.6
[M+Na-2H]- 260.090416 151.9
[M]+ 239.11520142 154.5
[M]- 239.11629858 154.5
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