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
4
Annotation Hits

6
References

15093
Patents

340.26135 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 191.3
[M+Na]+ 363.25057 193.2
[M-H]- 339.25407 189.2
[M+NH4]+ 358.29517 204.9
[M+K]+ 379.22451 190.4
[M+H-H2O]+ 323.25861 184.0
[M+HCOO]- 385.25955 210.1
[M+CH3COO]- 399.27520 213.9
[M+Na-2H]- 361.23602 188.6
[M]+ 340.26080 200.1
[M]- 340.26190 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