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

2167
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 224.9
[M+Na]+ 475.37579 232.5
[M-H]- 451.37929 212.8
[M+NH4]+ 470.42039 227.4
[M+K]+ 491.34973 229.8
[M+H-H2O]+ 435.38383 217.8
[M+HCOO]- 497.38477 234.7
[M+CH3COO]- 511.40042 237.3
[M+Na-2H]- 473.36124 219.7
[M]+ 452.38602 226.0
[M]- 452.38712 226.0
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