CID 8033

Di-tert-butyl peroxide

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CC(C)(C)OOC(C)(C)C

InChI

InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3

InChIKey

LSXWFXONGKSEMY-UHFFFAOYSA-N

Compound name

2-tert-butylperoxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 88
References: 21977
Patents: 146.13068 Da
Monoisotopic Mass: 2.1
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	133.3
[M+Na]+	169.11990	140.9
[M-H]-	145.12340	134.1
[M+NH4]+	164.16450	155.5
[M+K]+	185.09384	142.0
[M+H-H2O]+	129.12794	129.9
[M+HCOO]-	191.12888	154.0
[M+CH3COO]-	205.14453	176.7
[M+Na-2H]-	167.10535	141.0
[M]+	146.13013	137.2
[M]-	146.13123	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe