CID 89245

Di-sec-butyl peroxydicarbonate

Structural Information

Molecular Formula
C10H18O6
SMILES
CCC(C)OC(=O)OOC(=O)OC(C)CC
InChI
InChI=1S/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey
NSGQRLUGQNBHLD-UHFFFAOYSA-N
Compound name
butan-2-yl butan-2-yloxycarbonyloxy carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13069
Patents

234.11034 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11762 152.2
[M+Na]+ 257.09956 157.6
[M-H]- 233.10306 152.2
[M+NH4]+ 252.14416 170.1
[M+K]+ 273.07350 160.1
[M+H-H2O]+ 217.10760 146.7
[M+HCOO]- 279.10854 172.7
[M+CH3COO]- 293.12419 189.6
[M+Na-2H]- 255.08501 152.5
[M]+ 234.10979 159.4
[M]- 234.11089 159.4
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