CID 116706

Tert-amyl peroxy 2-ethylhexyl carbonate

Structural Information

Molecular Formula
C14H28O4
SMILES
CCCCC(CC)COC(=O)OOC(C)(C)CC
InChI
InChI=1S/C14H28O4/c1-6-9-10-12(7-2)11-16-13(15)17-18-14(4,5)8-3/h12H,6-11H2,1-5H3
InChIKey
HTCRKQHJUYBQTK-UHFFFAOYSA-N
Compound name
2-ethylhexyl 2-methylbutan-2-yloxy carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2028
Patents

260.19876 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20604 166.3
[M+Na]+ 283.18798 170.6
[M-H]- 259.19148 165.7
[M+NH4]+ 278.23258 183.5
[M+K]+ 299.16192 171.1
[M+H-H2O]+ 243.19602 160.9
[M+HCOO]- 305.19696 185.2
[M+CH3COO]- 319.21261 198.9
[M+Na-2H]- 281.17343 167.6
[M]+ 260.19821 174.0
[M]- 260.19931 174.0
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