CID 69802

Decanoyl peroxide

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC
InChI
InChI=1S/C20H38O4/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKey
XJOBOFWTZOKMOH-UHFFFAOYSA-N
Compound name
decanoyl decaneperoxoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25217
Patents

342.277 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.284276 193.1
[M+Na]+ 365.266218 194.8
[M-H]- 341.269724 191.0
[M+NH4]+ 360.310823 206.7
[M+K]+ 381.240158 192.6
[M+H-H2O]+ 325.274260 185.8
[M+HCOO]- 387.275201 211.7
[M+CH3COO]- 401.290851 214.8
[M+Na-2H]- 363.251666 190.3
[M]+ 342.27645142 202.6
[M]- 342.27754858 202.6
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