CID 83085

1,1,4,4-tetramethyltetramethylene peroxynonanoate

Structural Information

Molecular Formula
C26H50O6
SMILES
CCCCCCCCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)CCCCCCCC
InChI
InChI=1S/C26H50O6/c1-7-9-11-13-15-17-19-23(27)29-31-25(3,4)21-22-26(5,6)32-30-24(28)20-18-16-14-12-10-8-2/h7-22H2,1-6H3
InChIKey
QJRGOYGWWVYKGX-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-5-nonanoylperoxyhexan-2-yl) nonaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.36075 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.368026 216.3
[M+Na]+ 481.349968 222.1
[M-H]- 457.353474 210.7
[M+NH4]+ 476.394573 223.1
[M+K]+ 497.323908 221.7
[M+H-H2O]+ 441.358010 215.0
[M+HCOO]- 503.358951 228.1
[M+CH3COO]- 517.374601 237.4
[M+Na-2H]- 479.335416 205.3
[M]+ 458.36020142 221.0
[M]- 458.36129858 221.0
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

No patent data available for this compound.