CID 5365125

Bis(2-ethylhexyl) maleate

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC
InChI
InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-
InChIKey
ROPXFXOUUANXRR-YPKPFQOOSA-N
Compound name
bis(2-ethylhexyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

9588
Patents

340.26135 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 191.8
[M+Na]+ 363.25057 193.4
[M-H]- 339.25407 189.9
[M+NH4]+ 358.29517 205.3
[M+K]+ 379.22451 191.6
[M+H-H2O]+ 323.25861 184.9
[M+HCOO]- 385.25955 208.7
[M+CH3COO]- 399.27520 215.6
[M+Na-2H]- 361.23602 186.6
[M]+ 340.26080 199.3
[M]- 340.26190 199.3
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