CID 39515

4,7-benzofurandiol, 6-decanoyl-2,3-dimethyl-

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]+ 333.206036 182.3
[M+Na]+ 355.187978 190.7
[M-H]- 331.191484 185.3
[M+NH4]+ 350.232583 197.5
[M+K]+ 371.161918 186.8
[M+H-H2O]+ 315.196020 176.5
[M+HCOO]- 377.196961 201.1
[M+CH3COO]- 391.212611 210.7
[M+Na-2H]- 353.173426 181.7
[M]+ 332.19821142 190.4
[M]- 332.19930858 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.