CID 11000257

2-butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan

Structural Information

Molecular Formula
C17H22O3
SMILES
CCCCC1=CC=C(O1)CCC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C17H22O3/c1-3-4-5-14-9-10-15(20-14)8-6-13-7-11-16(18)17(12-13)19-2/h7,9-12,18H,3-6,8H2,1-2H3
InChIKey
VFYKGOGEJRZWKU-UHFFFAOYSA-N
Compound name
4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

274.1569 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.164176 165.1
[M+Na]+ 297.146118 172.6
[M-H]- 273.149624 171.3
[M+NH4]+ 292.190723 181.6
[M+K]+ 313.120058 169.9
[M+H-H2O]+ 257.154160 158.4
[M+HCOO]- 319.155101 187.5
[M+CH3COO]- 333.170751 197.9
[M+Na-2H]- 295.131566 167.4
[M]+ 274.15635142 170.3
[M]- 274.15744858 170.3
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

patents stripe