CID 22394993

Diisotridecyl peroxydicarbonate

Structural Information

Molecular Formula
C28H54O6
SMILES
CC(C)CCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C28H54O6/c1-25(2)21-17-13-9-5-7-11-15-19-23-31-27(29)33-34-28(30)32-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3
InChIKey
QYLYCIMKTCNLGY-UHFFFAOYSA-N
Compound name
11-methyldodecoxycarbonyloxy 11-methyldodecyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

486.39203 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.39931 233.2
[M+Na]+ 509.38125 240.3
[M-H]- 485.38475 225.0
[M+NH4]+ 504.42585 240.1
[M+K]+ 525.35519 238.7
[M+H-H2O]+ 469.38929 236.2
[M+HCOO]- 531.39023 237.8
[M+CH3COO]- 545.40588 241.8
[M+Na-2H]- 507.36670 221.2
[M]+ 486.39148 234.5
[M]- 486.39258 234.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe