CID 5354846

Dilauryl maleate

Structural Information

Molecular Formula
C28H52O4
SMILES
CCCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C28H52O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3/b24-23-
InChIKey
HEJZJSIRBLOWPD-VHXPQNKSSA-N
Compound name
didodecyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1628
Patents

452.38657 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.39385 227.5
[M+Na]+ 475.37579 229.3
[M+NH4]+ 470.42039 227.8
[M+K]+ 491.34973 227.3
[M-H]- 451.37929 214.1
[M+Na-2H]- 473.36124 229.0
[M]+ 452.38602 223.9
[M]- 452.38712 223.9
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