CID 85264

Dipropyl peroxydicarbonate

Structural Information

Molecular Formula
C8H14O6
SMILES
CCCOC(=O)OOC(=O)OCCC
InChI
InChI=1S/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3
InChIKey
YPVDWEHVCUBACK-UHFFFAOYSA-N
Compound name
propoxycarbonyloxy propyl carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18796
Patents

206.07904 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08632 142.8
[M+Na]+ 229.06826 149.5
[M-H]- 205.07176 143.0
[M+NH4]+ 224.11286 161.9
[M+K]+ 245.04220 151.5
[M+H-H2O]+ 189.07630 137.4
[M+HCOO]- 251.07724 165.9
[M+CH3COO]- 265.09289 181.8
[M+Na-2H]- 227.05371 146.6
[M]+ 206.07849 150.6
[M]- 206.07959 150.6
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