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

3
Annotation Hits: 0
References: 24571
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]+	287.22170	173.0
[M+Na]+	309.20364	180.1
[M+NH4]+	304.24824	177.7
[M+K]+	325.17758	174.4
[M-H]-	285.20714	170.2
[M+Na-2H]-	307.18909	172.8
[M]+	286.21387	172.8
[M]-	286.21497	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe