CID 12979

Dioctanoyl peroxide

Structural Information

Molecular Formula

C₁₆H₃₀O₄

SMILES

CCCCCCCC(=O)OOC(=O)CCCCCCC

InChI

InChI=1S/C16H30O4/c1-3-5-7-9-11-13-15(17)19-20-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey

SRSFOMHQIATOFV-UHFFFAOYSA-N

Compound name

octanoyl octaneperoxoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 22445
Patents: 286.21442 Da
Monoisotopic Mass: 6.2
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]+	287.221696	174.9
[M+Na]+	309.203638	178.3
[M-H]-	285.207144	173.6
[M+NH4]+	304.248243	190.8
[M+K]+	325.177578	177.1
[M+H-H2O]+	269.211680	168.3
[M+HCOO]-	331.212621	194.9
[M+CH3COO]-	345.228271	202.9
[M+Na-2H]-	307.189086	174.2
[M]+	286.21387142	182.9
[M]-	286.21496858	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe