CID 62810

Dicetyl peroxydicarbonate

Structural Information

Molecular Formula

C₃₄H₆₆O₆

SMILES

CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

InChIKey

QWVBGCWRHHXMRM-UHFFFAOYSA-N

Compound name

hexadecoxycarbonyloxy hexadecyl carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 7595
Patents: 570.48596 Da
Monoisotopic Mass: 16.5
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]+	571.49324	255.4
[M+Na]+	593.47518	260.4
[M-H]-	569.47868	241.8
[M+NH4]+	588.51978	258.9
[M+K]+	609.44912	260.2
[M+H-H2O]+	553.48322	256.5
[M+HCOO]-	615.48416	262.4
[M+CH3COO]-	629.49981	257.1
[M+Na-2H]-	591.46063	239.4
[M]+	570.48541	256.1
[M]-	570.48651	256.1

Literature stripe

literature stripe

Patent stripe

patents stripe