CID 10824187

5-hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(=CCCC(=O)C1=CC2=C(O1)C=CC(=C2)O)C
InChI
InChI=1S/C15H16O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,16H,3,5H2,1-2H3
InChIKey
LQWRIKCEOOIFSI-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-1-benzofuran-2-yl)-5-methylhex-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10994 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 154.9
[M+Na]+ 267.09916 167.1
[M+NH4]+ 262.14376 162.3
[M+K]+ 283.07310 163.2
[M-H]- 243.10266 157.0
[M+Na-2H]- 265.08461 158.7
[M]+ 244.10939 157.1
[M]- 244.11049 157.1
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.