CID 10610429

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

Structural Information

Molecular Formula
C15H18O3
SMILES
CC(=CCCC(C1=CC2=C(O1)C=CC(=C2)O)O)C
InChI
InChI=1S/C15H18O3/c1-10(2)4-3-5-13(17)15-9-11-8-12(16)6-7-14(11)18-15/h4,6-9,13,16-17H,3,5H2,1-2H3
InChIKey
PQFYUXKMWDLCDV-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-5-methylhex-4-enyl)-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.132876 157.5
[M+Na]+ 269.114818 165.4
[M-H]- 245.118324 160.4
[M+NH4]+ 264.159423 175.4
[M+K]+ 285.088758 162.4
[M+H-H2O]+ 229.122860 152.3
[M+HCOO]- 291.123801 177.0
[M+CH3COO]- 305.139451 190.1
[M+Na-2H]- 267.100266 160.2
[M]+ 246.12505142 160.5
[M]- 246.12614858 160.5
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.