CID 77458

Dibutyl peroxide

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCCOOCCCC

InChI

InChI=1S/C8H18O2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3

InChIKey

PAOHAQSLJSMLAT-UHFFFAOYSA-N

Compound name

1-butylperoxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19505
Patents: 146.13068 Da
Monoisotopic Mass: 2.6
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]+	147.13796	132.7
[M+Na]+	169.11990	143.0
[M+NH4]+	164.16450	140.7
[M+K]+	185.09384	136.6
[M-H]-	145.12340	132.4
[M+Na-2H]-	167.10535	136.6
[M]+	146.13013	133.9
[M]-	146.13123	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe