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]+ 247.13288 157.5
[M+Na]+ 269.11482 165.4
[M-H]- 245.11832 160.4
[M+NH4]+ 264.15942 175.4
[M+K]+ 285.08876 162.4
[M+H-H2O]+ 229.12286 152.3
[M+HCOO]- 291.12380 177.0
[M+CH3COO]- 305.13945 190.1
[M+Na-2H]- 267.10027 160.2
[M]+ 246.12505 160.5
[M]- 246.12615 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.