CID 56941147

Schembl4174338

Structural Information

Molecular Formula
C15H16O6
SMILES
CC(=O)OC1=C(C=C(C=C1)C(C=C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H16O6/c1-5-13(19-9(2)16)12-6-7-14(20-10(3)17)15(8-12)21-11(4)18/h5-8,13H,1H2,2-4H3
InChIKey
FYVNMYZFBBYQBG-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-(1-acetyloxyprop-2-enyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

292.0947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10198 162.1
[M+Na]+ 315.08392 168.8
[M-H]- 291.08742 165.9
[M+NH4]+ 310.12852 177.5
[M+K]+ 331.05786 168.6
[M+H-H2O]+ 275.09196 155.7
[M+HCOO]- 337.09290 183.0
[M+CH3COO]- 351.10855 202.2
[M+Na-2H]- 313.06937 161.5
[M]+ 292.09415 168.3
[M]- 292.09525 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.