CID 563698

4-benzyloxy-3-methoxyphenethyl alcohol

Structural Information

Molecular Formula
C16H18O3
SMILES
COC1=C(C=CC(=C1)CCO)OCC2=CC=CC=C2
InChI
InChI=1S/C16H18O3/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3
InChIKey
VYGZUMHSOJKVSQ-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-phenylmethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

258.12558 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13286 159.7
[M+Na]+ 281.11480 174.1
[M+NH4]+ 276.15940 168.0
[M+K]+ 297.08874 166.1
[M-H]- 257.11830 163.9
[M+Na-2H]- 279.10025 168.6
[M]+ 258.12503 163.0
[M]- 258.12613 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe