CID 118987278

O,o-tert-butyl o-docosyl monoperoxyoxalate

Structural Information

Molecular Formula
C28H54O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=O)OOCCCC
InChI
InChI=1S/C28H54O5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31-27(29)28(30)33-32-26-6-4-2/h3-26H2,1-2H3
InChIKey
LWNKIXBLUXUHDO-UHFFFAOYSA-N
Compound name
docosyl 2-butylperoxy-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.39713 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.40441 232.8
[M+Na]+ 493.38635 233.7
[M+NH4]+ 488.43095 233.7
[M+K]+ 509.36029 232.2
[M-H]- 469.38985 219.2
[M+Na-2H]- 491.37180 233.8
[M]+ 470.39658 229.2
[M]- 470.39768 229.2
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.