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

823
Patents

350.19406 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.201336 182.4
[M+Na]+ 373.183278 186.3
[M-H]- 349.186784 186.4
[M+NH4]+ 368.227883 195.1
[M+K]+ 389.157218 188.7
[M+H-H2O]+ 333.191320 176.7
[M+HCOO]- 395.192261 202.7
[M+CH3COO]- 409.207911 209.8
[M+Na-2H]- 371.168726 185.0
[M]+ 350.19351142 192.0
[M]- 350.19460858 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