CID 6452377

1,1,3,3-tetramethylbutyl peroxyneodecanoate

Structural Information

Molecular Formula
C18H34O4
SMILES
CC(C)(C)CCCCC1(OO1)C(=O)OC(C)(C)CC(C)(C)C
InChI
InChI=1S/C18H34O4/c1-15(2,3)11-9-10-12-18(21-22-18)14(19)20-17(7,8)13-16(4,5)6/h9-13H2,1-8H3
InChIKey
CRJIYMRJTJWVLU-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpentan-2-yl 3-(5,5-dimethylhexyl)dioxirane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6783
Patents

314.2457 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 179.8
[M+Na]+ 337.23492 188.8
[M+NH4]+ 332.27952 186.4
[M+K]+ 353.20886 186.0
[M-H]- 313.23842 186.8
[M+Na-2H]- 335.22037 184.4
[M]+ 314.24515 184.5
[M]- 314.24625 184.5
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