CID 74860

Dicyclohexyl diperoxycarbonate

Structural Information

Molecular Formula

C₁₃H₂₂O₅

SMILES

C1CCC(CC1)OOC(=O)OOC2CCCCC2

InChI

InChI=1S/C13H22O5/c14-13(17-15-11-7-3-1-4-8-11)18-16-12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey

JTZMVYPFTMBXQL-UHFFFAOYSA-N

Compound name

dicyclohexyloxy carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 258.14673 Da
Monoisotopic Mass: 4.2
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]+	259.154006	159.3
[M+Na]+	281.135948	159.8
[M-H]-	257.139454	163.5
[M+NH4]+	276.180553	174.7
[M+K]+	297.109888	160.1
[M+H-H2O]+	241.143990	151.4
[M+HCOO]-	303.144931	175.5
[M+CH3COO]-	317.160581	190.3
[M+Na-2H]-	279.121396	160.8
[M]+	258.14618142	155.1
[M]-	258.14727858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe