CID 8879

Diallyl 2,2'-oxydiethyl dicarbonate

Structural Information

Molecular Formula
C12H18O7
SMILES
C=CCOC(=O)OCCOCCOC(=O)OCC=C
InChI
InChI=1S/C12H18O7/c1-3-5-16-11(13)18-9-7-15-8-10-19-12(14)17-6-4-2/h3-4H,1-2,5-10H2
InChIKey
JHQVCQDWGSXTFE-UHFFFAOYSA-N
Compound name
2-(2-prop-2-enoxycarbonyloxyethoxy)ethyl prop-2-enyl carbonate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

137
References

8661
Patents

274.10526 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11254 159.8
[M+Na]+ 297.09448 165.2
[M-H]- 273.09798 159.2
[M+NH4]+ 292.13908 175.8
[M+K]+ 313.06842 165.5
[M+H-H2O]+ 257.10252 153.5
[M+HCOO]- 319.10346 182.2
[M+CH3COO]- 333.11911 194.8
[M+Na-2H]- 295.07993 161.8
[M]+ 274.10471 169.2
[M]- 274.10581 169.2
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