CID 175191

72829-09-5

Structural Information

Molecular Formula
C20H34O4
SMILES
CC(=C)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C20H34O4/c1-17(2)19(21)23-15-13-11-9-7-5-6-8-10-12-14-16-24-20(22)18(3)4/h1,3,5-16H2,2,4H3
InChIKey
HYQASEVIBPSPMK-UHFFFAOYSA-N
Compound name
12-(2-methylprop-2-enoyloxy)dodecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

2580
Patents

338.2457 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.252976 189.6
[M+Na]+ 361.234918 191.5
[M-H]- 337.238424 187.8
[M+NH4]+ 356.279523 203.0
[M+K]+ 377.208858 189.0
[M+H-H2O]+ 321.242960 182.8
[M+HCOO]- 383.243901 206.7
[M+CH3COO]- 397.259551 215.4
[M+Na-2H]- 359.220366 184.6
[M]+ 338.24515142 196.6
[M]- 338.24624858 196.6
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