CID 119009

1,6-bis{[(tert-butylperoxy)carbonyl]oxy}hexane

Structural Information

Molecular Formula
C16H30O8
SMILES
CC(C)(C)OOC(=O)OCCCCCCOC(=O)OOC(C)(C)C
InChI
InChI=1S/C16H30O8/c1-15(2,3)23-21-13(17)19-11-9-7-8-10-12-20-14(18)22-24-16(4,5)6/h7-12H2,1-6H3
InChIKey
FRBAZRWGNOJHRO-UHFFFAOYSA-N
Compound name
6-tert-butylperoxycarbonyloxyhexyl (2-methylpropan-2-yl)oxy carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1095
Patents

350.19406 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20134 180.5
[M+Na]+ 373.18328 185.1
[M+NH4]+ 368.22788 192.5
[M+K]+ 389.15722 184.9
[M-H]- 349.18678 181.5
[M+Na-2H]- 371.16873 178.7
[M]+ 350.19351 178.8
[M]- 350.19461 178.8
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