CID 8879

142-22-3

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
4
Annotation Hits

137
References

8029
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 162.1
[M+Na]+ 297.09448 168.6
[M+NH4]+ 292.13908 165.0
[M+K]+ 313.06842 165.3
[M-H]- 273.09798 157.3
[M+Na-2H]- 295.07993 161.2
[M]+ 274.10471 160.9
[M]- 274.10581 160.9
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