CID 2734075

Schembl317158

Structural Information

Molecular Formula

C₁₆H₂₈O₆

SMILES

CC(C)(C)OOC(=O)C1CCC(CC1)C(=O)OOC(C)(C)C

InChI

InChI=1S/C16H28O6/c1-15(2,3)21-19-13(17)11-7-9-12(10-8-11)14(18)20-22-16(4,5)6/h11-12H,7-10H2,1-6H3

InChIKey

CIKJANOSDPPCAU-UHFFFAOYSA-N

Compound name

ditert-butyl cyclohexane-1,4-dicarboperoxoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3226
Patents: 316.1886 Da
Monoisotopic Mass: 3.2
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]+	317.195876	172.9
[M+Na]+	339.177818	176.0
[M-H]-	315.181324	175.3
[M+NH4]+	334.222423	187.5
[M+K]+	355.151758	177.4
[M+H-H2O]+	299.185860	167.5
[M+HCOO]-	361.186801	187.5
[M+CH3COO]-	375.202451	205.1
[M+Na-2H]-	337.163266	174.4
[M]+	316.18805142	176.5
[M]-	316.18914858	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe