CID 61023

Tert-butyl peroxyisobutyrate

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

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

InChI

InChI=1S/C8H16O3/c1-6(2)7(9)10-11-8(3,4)5/h6H,1-5H3

InChIKey

PFBLRDXPNUJYJM-UHFFFAOYSA-N

Compound name

tert-butyl 2-methylpropaneperoxoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 17180
Patents: 160.10994 Da
Monoisotopic Mass: 2.2
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]+	161.117216	135.0
[M+Na]+	183.099158	141.9
[M-H]-	159.102664	135.6
[M+NH4]+	178.143763	156.3
[M+K]+	199.073098	143.4
[M+H-H2O]+	143.107200	131.0
[M+HCOO]-	205.108141	155.7
[M+CH3COO]-	219.123791	178.9
[M+Na-2H]-	181.084606	139.5
[M]+	160.10939142	138.9
[M]-	160.11048858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe