CID 481690

Chembl2269700

Structural Information

Molecular Formula
C15H16O5
SMILES
CC(=O)C1=C(C=C2CC(OC2=C1)C(=C)COC(=O)C)O
InChI
InChI=1S/C15H16O5/c1-8(7-19-10(3)17)14-5-11-4-13(18)12(9(2)16)6-15(11)20-14/h4,6,14,18H,1,5,7H2,2-3H3
InChIKey
JQYIMVNLVAAGIC-UHFFFAOYSA-N
Compound name
2-(6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)prop-2-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.09976 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 161.4
[M+Na]+ 299.08898 168.6
[M-H]- 275.09248 165.3
[M+NH4]+ 294.13358 178.4
[M+K]+ 315.06292 167.4
[M+H-H2O]+ 259.09702 156.3
[M+HCOO]- 321.09796 179.2
[M+CH3COO]- 335.11361 198.2
[M+Na-2H]- 297.07443 161.3
[M]+ 276.09921 164.6
[M]- 276.10031 164.6
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

No patent data available for this compound.