CID 6433353

Dioctyl maleate

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCC
InChI
InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3/b16-15-
InChIKey
TVWTZAGVNBPXHU-NXVVXOECSA-N
Compound name
dioctyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

15856
Patents

340.26135 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.268626 191.3
[M+Na]+ 363.250568 193.2
[M-H]- 339.254074 189.2
[M+NH4]+ 358.295173 204.9
[M+K]+ 379.224508 190.4
[M+H-H2O]+ 323.258610 184.0
[M+HCOO]- 385.259551 210.1
[M+CH3COO]- 399.275201 213.9
[M+Na-2H]- 361.236016 188.6
[M]+ 340.26080142 200.1
[M]- 340.26189858 200.1
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