CID 77065

Dimyristoyl peroxide

Structural Information

Molecular Formula
C28H54O4
SMILES
CCCCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-32-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey
SLFUZVJZPBHLAQ-UHFFFAOYSA-N
Compound name
tetradecanoyl tetradecaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

482
Patents

454.40222 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.409496 227.6
[M+Na]+ 477.391438 234.6
[M-H]- 453.394944 214.8
[M+NH4]+ 472.436043 229.8
[M+K]+ 493.365378 222.5
[M+H-H2O]+ 437.399480 219.6
[M+HCOO]- 499.400421 236.7
[M+CH3COO]- 513.416071 238.0
[M+Na-2H]- 475.376886 221.5
[M]+ 454.40167142 228.9
[M]- 454.40276858 228.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe