CID 7769

Diisopropyl peroxydicarbonate

Structural Information

Molecular Formula
C8H14O6
SMILES
CC(C)OC(=O)OOC(=O)OC(C)C
InChI
InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3
InChIKey
BWJUFXUULUEGMA-UHFFFAOYSA-N
Compound name
propan-2-yl propan-2-yloxycarbonyloxy carbonate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

50214
Patents

206.07904 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08632 142.6
[M+Na]+ 229.06826 148.9
[M-H]- 205.07176 143.0
[M+NH4]+ 224.11286 161.6
[M+K]+ 245.04220 151.9
[M+H-H2O]+ 189.07630 137.5
[M+HCOO]- 251.07724 163.8
[M+CH3COO]- 265.09289 183.7
[M+Na-2H]- 227.05371 144.0
[M]+ 206.07849 149.1
[M]- 206.07959 149.1
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