CID 7773

Lauroyl peroxide

Structural Information

Molecular Formula
C24H46O4
SMILES
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
YIVJZNGAASQVEM-UHFFFAOYSA-N
Compound name
dodecanoyl dodecaneperoxoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

23
References

134599
Patents

398.3396 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.346876 210.9
[M+Na]+ 421.328818 210.9
[M-H]- 397.332324 208.0
[M+NH4]+ 416.373423 215.2
[M+K]+ 437.302758 207.7
[M+H-H2O]+ 381.336860 202.9
[M+HCOO]- 443.337801 223.5
[M+CH3COO]- 457.353451 226.4
[M+Na-2H]- 419.314266 206.1
[M]+ 398.33905142 221.9
[M]- 398.34014858 221.9
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