CID 15929154

143114-91-4

Structural Information

Molecular Formula
C19H26O3
SMILES
CCCCCCC1=CC=C(O1)CCC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C19H26O3/c1-3-4-5-6-7-16-11-12-17(22-16)10-8-15-9-13-18(20)19(14-15)21-2/h9,11-14,20H,3-8,10H2,1-2H3
InChIKey
WZHSIDQBPQYZNL-UHFFFAOYSA-N
Compound name
4-[2-(5-hexylfuran-2-yl)ethyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1882 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 174.5
[M+Na]+ 325.17742 181.1
[M-H]- 301.18092 180.3
[M+NH4]+ 320.22202 189.8
[M+K]+ 341.15136 178.0
[M+H-H2O]+ 285.18546 167.4
[M+HCOO]- 347.18640 196.2
[M+CH3COO]- 361.20205 203.8
[M+Na-2H]- 323.16287 175.7
[M]+ 302.18765 180.4
[M]- 302.18875 180.4
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.