CID 61238

Tert-butyl peroxypivalate

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

CC(C)(C)C(=O)OOC(C)(C)C

InChI

InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3

InChIKey

OPQYOFWUFGEMRZ-UHFFFAOYSA-N

Compound name

tert-butyl 2,2-dimethylpropaneperoxoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 44623
Patents: 174.1256 Da
Monoisotopic Mass: 2.5
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]+	175.132876	138.8
[M+Na]+	197.114818	146.1
[M-H]-	173.118324	139.5
[M+NH4]+	192.159423	159.8
[M+K]+	213.088758	147.3
[M+H-H2O]+	157.122860	135.3
[M+HCOO]-	219.123801	158.7
[M+CH3COO]-	233.139451	180.9
[M+Na-2H]-	195.100266	145.0
[M]+	174.12505142	143.2
[M]-	174.12614858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe