CID 83499

Tert-butyl octaneperoxoate

Structural Information

Molecular Formula

C₁₂H₂₄O₃

SMILES

CCCCCCCC(=O)OOC(C)(C)C

InChI

InChI=1S/C12H24O3/c1-5-6-7-8-9-10-11(13)14-15-12(2,3)4/h5-10H2,1-4H3

InChIKey

BWSZXUOMATYHHI-UHFFFAOYSA-N

Compound name

tert-butyl octaneperoxoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 10197
Patents: 216.17255 Da
Monoisotopic Mass: 4.1
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]+	217.17983	153.1
[M+Na]+	239.16177	161.5
[M+NH4]+	234.20637	159.2
[M+K]+	255.13571	156.7
[M-H]-	215.16527	150.9
[M+Na-2H]-	237.14722	154.8
[M]+	216.17200	153.4
[M]-	216.17310	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe