CID 102546

Bis-(2-ethylhexanoyl) peroxide

Structural Information

Molecular Formula
C16H30O4
SMILES
CCCCC(CC)C(=O)OOC(=O)C(CC)CCCC
InChI
InChI=1S/C16H30O4/c1-5-9-11-13(7-3)15(17)19-20-16(18)14(8-4)12-10-6-2/h13-14H,5-12H2,1-4H3
InChIKey
ZTFSXSAVDJCOLB-UHFFFAOYSA-N
Compound name
2-ethylhexanoyl 2-ethylhexaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

286.21442 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.221696 175.2
[M+Na]+ 309.203638 178.2
[M-H]- 285.207144 174.1
[M+NH4]+ 304.248243 191.0
[M+K]+ 325.177578 178.0
[M+H-H2O]+ 269.211680 168.9
[M+HCOO]- 331.212621 193.2
[M+CH3COO]- 345.228271 204.6
[M+Na-2H]- 307.189086 172.1
[M]+ 286.21387142 181.9
[M]- 286.21496858 181.9
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