CID 29430

Octyl peroxide

Structural Information

Molecular Formula

C₁₆H₃₄O₂

SMILES

CCCCCCCCOOCCCCCCCC

InChI

InChI=1S/C16H34O2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

LWRXNMLZNDYFAW-UHFFFAOYSA-N

Compound name

1-octylperoxyoctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1745
Patents: 258.2559 Da
Monoisotopic Mass: 7.0
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]+	259.26318	168.2
[M+Na]+	281.24512	176.8
[M+NH4]+	276.28972	174.8
[M+K]+	297.21906	168.6
[M-H]-	257.24862	167.5
[M+Na-2H]-	279.23057	169.9
[M]+	258.25535	169.0
[M]-	258.25645	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe