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 182.3
[M+Na]+ 355.18798 190.7
[M-H]- 331.19148 185.3
[M+NH4]+ 350.23258 197.5
[M+K]+ 371.16192 186.8
[M+H-H2O]+ 315.19602 176.5
[M+HCOO]- 377.19696 201.1
[M+CH3COO]- 391.21261 210.7
[M+Na-2H]- 353.17343 181.7
[M]+ 332.19821 190.4
[M]- 332.19931 190.4
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.