CID 102924

Tert-butyl 2-ethylhexaneperoxoate

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCCC(CC)C(=O)OOC(C)(C)C
InChI
InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3
InChIKey
WYKYCHHWIJXDAO-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethylhexaneperoxoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15457
Patents

216.17255 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.179826 154.0
[M+Na]+ 239.161768 159.3
[M-H]- 215.165274 153.9
[M+NH4]+ 234.206373 173.1
[M+K]+ 255.135708 159.7
[M+H-H2O]+ 199.169810 149.2
[M+HCOO]- 261.170751 173.4
[M+CH3COO]- 275.186401 191.0
[M+Na-2H]- 237.147216 156.4
[M]+ 216.17200142 159.5
[M]- 216.17309858 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe