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

literature stripe

Patent stripe

patents stripe