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

3
Annotation Hits: 6
References: 13588
Patents: 340.26135 Da
Monoisotopic Mass: 7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.26863	189.4
[M+Na]+	363.25057	195.7
[M+NH4]+	358.29517	193.1
[M+K]+	379.22451	189.0
[M-H]-	339.25407	186.2
[M+Na-2H]-	361.23602	188.0
[M]+	340.26080	188.9
[M]-	340.26190	188.9

Literature stripe

literature stripe

Patent stripe

patents stripe