CID 118684

34443-09-9

Structural Information

Molecular Formula
C22H42O6
SMILES
CCCCCCCCCCOOC(=O)C(=O)OOCCCCCCCCCC
InChI
InChI=1S/C22H42O6/c1-3-5-7-9-11-13-15-17-19-25-27-21(23)22(24)28-26-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
NMDKVIXSODVDJT-UHFFFAOYSA-N
Compound name
didecyl ethanediperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.29813 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.305406 206.5
[M+Na]+ 425.287348 207.0
[M-H]- 401.290854 201.4
[M+NH4]+ 420.331953 214.5
[M+K]+ 441.261288 205.5
[M+H-H2O]+ 385.295390 198.3
[M+HCOO]- 447.296331 222.2
[M+CH3COO]- 461.311981 224.3
[M+Na-2H]- 423.272796 203.0
[M]+ 402.29758142 212.4
[M]- 402.29867858 212.4
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.