CID 11457843

T-butyl t-amyl peroxide

Structural Information

Molecular Formula

C₉H₂₀O₂

SMILES

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

InChI

InChI=1S/C9H20O2/c1-7-9(5,6)11-10-8(2,3)4/h7H2,1-6H3

InChIKey

UVTIZRNEWKAOEM-UHFFFAOYSA-N

Compound name

2-tert-butylperoxy-2-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 160.14633 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]+	161.153606	137.8
[M+Na]+	183.135548	144.9
[M-H]-	159.139054	138.4
[M+NH4]+	178.180153	159.4
[M+K]+	199.109488	145.8
[M+H-H2O]+	143.143590	134.3
[M+HCOO]-	205.144531	158.2
[M+CH3COO]-	219.160181	180.4
[M+Na-2H]-	181.120996	145.0
[M]+	160.14578142	142.3
[M]-	160.14687858	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe