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

2
Annotation Hits: 0
References: 17343
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]+	161.11722	135.0
[M+Na]+	183.09916	141.9
[M-H]-	159.10266	135.6
[M+NH4]+	178.14376	156.3
[M+K]+	199.07310	143.4
[M+H-H2O]+	143.10720	131.0
[M+HCOO]-	205.10814	155.7
[M+CH3COO]-	219.12379	178.9
[M+Na-2H]-	181.08461	139.5
[M]+	160.10939	138.9
[M]-	160.11049	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe