CID 86030101

Tert-amyl peroxyneodecanoate

Structural Information

Molecular Formula
C15H30O3
SMILES
CCCCCCC(C)(C)C(=O)OOC(C)(C)CC
InChI
InChI=1S/C15H30O3/c1-7-9-10-11-12-14(3,4)13(16)17-18-15(5,6)8-2/h7-12H2,1-6H3
InChIKey
RAWISQFSQWIXCW-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl 2,2-dimethyloctaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2145
Patents

258.21948 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.22676 166.8
[M+Na]+ 281.20870 171.4
[M-H]- 257.21220 166.3
[M+NH4]+ 276.25330 184.2
[M+K]+ 297.18264 171.0
[M+H-H2O]+ 241.21674 162.0
[M+HCOO]- 303.21768 184.6
[M+CH3COO]- 317.23333 200.3
[M+Na-2H]- 279.19415 169.8
[M]+ 258.21893 173.6
[M]- 258.22003 173.6
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.