CID 119009

Einecs 253-092-1

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

1122
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 182.4
[M+Na]+ 373.18328 186.3
[M-H]- 349.18678 186.4
[M+NH4]+ 368.22788 195.1
[M+K]+ 389.15722 188.7
[M+H-H2O]+ 333.19132 176.7
[M+HCOO]- 395.19226 202.7
[M+CH3COO]- 409.20791 209.8
[M+Na-2H]- 371.16873 185.0
[M]+ 350.19351 192.0
[M]- 350.19461 192.0
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