CID 76588

Diallyl sebacate

Structural Information

Molecular Formula

C₁₆H₂₆O₄

SMILES

C=CCOC(=O)CCCCCCCCC(=O)OCC=C

InChI

InChI=1S/C16H26O4/c1-3-13-19-15(17)11-9-7-5-6-8-10-12-16(18)20-14-4-2/h3-4H,1-2,5-14H2

InChIKey

NUVBFTZPEYQYGI-UHFFFAOYSA-N

Compound name

bis(prop-2-enyl) decanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1004
Patents: 282.1831 Da
Monoisotopic Mass: 4.0
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]+	283.19038	171.2
[M+Na]+	305.17232	178.4
[M+NH4]+	300.21692	175.3
[M+K]+	321.14626	172.4
[M-H]-	281.17582	167.9
[M+Na-2H]-	303.15777	170.7
[M]+	282.18255	170.7
[M]-	282.18365	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe