CID 104447

Dimyristyl peroxydicarbonate

Structural Information

Molecular Formula

C₃₀H₅₈O₆

SMILES

CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC

InChI

InChI=1S/C30H58O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-29(31)35-36-30(32)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

InChIKey

CSKKAINPUYTTRW-UHFFFAOYSA-N

Compound name

tetradecoxycarbonyloxy tetradecyl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4146
Patents: 514.42334 Da
Monoisotopic Mass: 14.3
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]+	515.43062	241.2
[M+Na]+	537.41256	246.8
[M-H]-	513.41606	229.1
[M+NH4]+	532.45716	244.8
[M+K]+	553.38650	245.0
[M+H-H2O]+	497.42060	242.8
[M+HCOO]-	559.42154	249.7
[M+CH3COO]-	573.43719	245.9
[M+Na-2H]-	535.39801	227.0
[M]+	514.42279	242.0
[M]-	514.42389	242.0

Literature stripe

literature stripe

Patent stripe

patents stripe