CID 83499

Tert-butyl peroctoate

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCCCCCC(=O)OOC(C)(C)C
InChI
InChI=1S/C12H24O3/c1-5-6-7-8-9-10-11(13)14-15-12(2,3)4/h5-10H2,1-4H3
InChIKey
BWSZXUOMATYHHI-UHFFFAOYSA-N
Compound name
tert-butyl octaneperoxoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13094
Patents

216.17255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 154.4
[M+Na]+ 239.16177 159.8
[M-H]- 215.16527 154.1
[M+NH4]+ 234.20637 173.4
[M+K]+ 255.13571 159.8
[M+H-H2O]+ 199.16981 149.4
[M+HCOO]- 261.17075 174.7
[M+CH3COO]- 275.18640 190.1
[M+Na-2H]- 237.14722 157.9
[M]+ 216.17200 160.4
[M]- 216.17310 160.4
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.