CID 101601

2,2-dihydroperoxy-2,2-dibutylperoxide

Structural Information

Molecular Formula

C₈H₁₈O₆

SMILES

CCC(C)OOOOOOC(C)CC

InChI

InChI=1S/C8H18O6/c1-5-7(3)9-11-13-14-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey

NSYFCBQBOGSOSA-UHFFFAOYSA-N

Compound name

2-butan-2-ylperoxyperoxyperoxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 210.11034 Da
Monoisotopic Mass: 3.0
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]+	211.117616	145.0
[M+Na]+	233.099558	150.7
[M-H]-	209.103064	144.9
[M+NH4]+	228.144163	163.7
[M+K]+	249.073498	153.9
[M+H-H2O]+	193.107600	139.2
[M+HCOO]-	255.108541	167.6
[M+CH3COO]-	269.124191	186.9
[M+Na-2H]-	231.085006	148.8
[M]+	210.10979142	154.6
[M]-	210.11088858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe