CID 118220

35147-45-6

Structural Information

Molecular Formula

C₁₃H₂₆O₆

SMILES

CC1(CC(OO1)(C)OOC(C)(C)C)OOC(C)(C)C

InChI

InChI=1S/C13H26O6/c1-10(2,3)14-16-12(7)9-13(8,19-18-12)17-15-11(4,5)6/h9H2,1-8H3

InChIKey

MUAFAOUCQHXNNH-UHFFFAOYSA-N

Compound name

3,5-bis(tert-butylperoxy)-3,5-dimethyldioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 665
Patents: 278.17294 Da
Monoisotopic Mass: 2.7
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]+	279.180216	157.5
[M+Na]+	301.162158	164.5
[M-H]-	277.165664	162.4
[M+NH4]+	296.206763	177.3
[M+K]+	317.136098	168.8
[M+H-H2O]+	261.170200	155.7
[M+HCOO]-	323.171141	175.0
[M+CH3COO]-	337.186791	196.7
[M+Na-2H]-	299.147606	167.3
[M]+	278.17239142	167.0
[M]-	278.17348858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe