CID 88523

Tert-butyl ethyl peroxide

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CCOOC(C)(C)C

InChI

InChI=1S/C6H14O2/c1-5-7-8-6(2,3)4/h5H2,1-4H3

InChIKey

GOKFBDXJQGPRML-UHFFFAOYSA-N

Compound name

2-ethylperoxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 118.09938 Da
Monoisotopic Mass: 1.5
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]+	119.10666	124.7
[M+Na]+	141.08860	132.5
[M-H]-	117.09210	125.4
[M+NH4]+	136.13320	147.8
[M+K]+	157.06254	133.7
[M+H-H2O]+	101.09664	121.0
[M+HCOO]-	163.09758	147.5
[M+CH3COO]-	177.11323	170.9
[M+Na-2H]-	139.07405	132.6
[M]+	118.09883	128.4
[M]-	118.09993	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe