CID 102465

Tert-amyl peroxy-2-ethylhexanoate

Structural Information

Molecular Formula
C13H26O3
SMILES
CCCCC(CC)C(=O)OOC(C)(C)CC
InChI
InChI=1S/C13H26O3/c1-6-9-10-11(7-2)12(14)15-16-13(4,5)8-3/h11H,6-10H2,1-5H3
InChIKey
IFXDUNDBQDXPQZ-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl 2-ethylhexaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10705
Patents

230.1882 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.19548 157.2
[M+Na]+ 253.17742 165.1
[M+NH4]+ 248.22202 163.0
[M+K]+ 269.15136 160.9
[M-H]- 229.18092 154.7
[M+Na-2H]- 251.16287 158.3
[M]+ 230.18765 157.4
[M]- 230.18875 157.4
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

patents stripe