CID 114465

Tert-butyl 3,5,5-trimethylhexaneperoxoate

Structural Information

Molecular Formula
C13H26O3
SMILES
CC(CC(=O)OOC(C)(C)C)CC(C)(C)C
InChI
InChI=1S/C13H26O3/c1-10(9-12(2,3)4)8-11(14)15-16-13(5,6)7/h10H,8-9H2,1-7H3
InChIKey
VSJBBIJIXZVVLQ-UHFFFAOYSA-N
Compound name
tert-butyl 3,5,5-trimethylhexaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1428
Patents

230.1882 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.19548 157.0
[M+Na]+ 253.17742 164.6
[M+NH4]+ 248.22202 162.6
[M+K]+ 269.15136 161.7
[M-H]- 229.18092 153.9
[M+Na-2H]- 251.16287 158.1
[M]+ 230.18765 157.0
[M]- 230.18875 157.0
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

patents stripe