CID 104534

Tert-butyl 2,2-dimethylperoxybutyrate

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCC(C)(C)C(=O)OOC(C)(C)C

InChI

InChI=1S/C10H20O3/c1-7-10(5,6)8(11)12-13-9(2,3)4/h7H2,1-6H3

InChIKey

HFBIJLUEBFHPTH-UHFFFAOYSA-N

Compound name

tert-butyl 2,2-dimethylbutaneperoxoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.14125 Da
Monoisotopic Mass: 2.9
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]+	189.14853	144.1
[M+Na]+	211.13047	152.6
[M+NH4]+	206.17507	150.3
[M+K]+	227.10441	149.6
[M-H]-	187.13397	141.3
[M+Na-2H]-	209.11592	146.3
[M]+	188.14070	144.4
[M]-	188.14180	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe