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

14
Patents

239.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 151.6
[M+Na]+ 262.10497 160.1
[M-H]- 238.10847 153.2
[M+NH4]+ 257.14957 168.2
[M+K]+ 278.07891 158.8
[M+H-H2O]+ 222.11301 145.7
[M+HCOO]- 284.11395 170.3
[M+CH3COO]- 298.12960 192.6
[M+Na-2H]- 260.09042 151.9
[M]+ 239.11520 154.5
[M]- 239.11630 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