CID 39515

49710-89-6

Structural Information

Molecular Formula
C20H28O4
SMILES
CCCCCCCCCC(=O)C1=CC(=C2C(=C(OC2=C1O)C)C)O
InChI
InChI=1S/C20H28O4/c1-4-5-6-7-8-9-10-11-16(21)15-12-17(22)18-13(2)14(3)24-20(18)19(15)23/h12,22-23H,4-11H2,1-3H3
InChIKey
UACMYZFWAIIZPV-UHFFFAOYSA-N
Compound name
1-(4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-yl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19876 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 181.5
[M+Na]+ 355.18798 193.0
[M+NH4]+ 350.23258 187.4
[M+K]+ 371.16192 188.6
[M-H]- 331.19148 183.0
[M+Na-2H]- 353.17343 182.7
[M]+ 332.19821 183.5
[M]- 332.19931 183.5
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.