CID 84475

Dioctyl succinate

Structural Information

Molecular Formula

C₂₀H₃₈O₄

SMILES

CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC

InChI

InChI=1S/C20H38O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChIKey

KWABLUYIOFEZOY-UHFFFAOYSA-N

Compound name

dioctyl butanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 11936
Patents: 342.277 Da
Monoisotopic Mass: 6.7
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]+	343.28428	190.1
[M+Na]+	365.26622	196.4
[M+NH4]+	360.31082	194.1
[M+K]+	381.24016	189.7
[M-H]-	341.26972	187.1
[M+Na-2H]-	363.25167	188.9
[M]+	342.27645	189.7
[M]-	342.27755	189.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.