CID 25320

Di-tert-amyl peroxide

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

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

InChI

InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3

InChIKey

JJRDRFZYKKFYMO-UHFFFAOYSA-N

Compound name

2-methyl-2-(2-methylbutan-2-ylperoxy)butane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 18273
Patents: 174.16199 Da
Monoisotopic Mass: 3.1
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]+	175.169266	142.4
[M+Na]+	197.151208	149.0
[M-H]-	173.154714	142.7
[M+NH4]+	192.195813	163.3
[M+K]+	213.125148	149.5
[M+H-H2O]+	157.159250	138.6
[M+HCOO]-	219.160191	162.4
[M+CH3COO]-	233.175841	184.2
[M+Na-2H]-	195.136656	149.0
[M]+	174.16144142	147.3
[M]-	174.16253858	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe