CID 5354345

Didecyl maleate

Structural Information

Molecular Formula

C₂₄H₄₄O₄

SMILES

CCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCC

InChI

InChI=1S/C24H44O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h19-20H,3-18,21-22H2,1-2H3/b20-19-

InChIKey

BVVRPLNLVUMGSL-VXPUYCOJSA-N

Compound name

didecyl (Z)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 497
Patents: 396.32397 Da
Monoisotopic Mass: 9.2
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]+	397.33125	206.5
[M+Na]+	419.31319	212.0
[M+NH4]+	414.35779	213.9
[M+K]+	435.28713	212.9
[M-H]-	395.31669	201.4
[M+Na-2H]-	417.29864	204.1
[M]+	396.32342	205.7
[M]-	396.32452	205.7

Literature stripe

literature stripe

Patent stripe

patents stripe