CID 563698

2-(4-benzyloxy-3-methoxy-phenyl)-ethanol

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

17
Patents

258.12558 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.132856 158.9
[M+Na]+ 281.114798 165.9
[M-H]- 257.118304 164.2
[M+NH4]+ 276.159403 175.0
[M+K]+ 297.088738 162.3
[M+H-H2O]+ 241.122840 151.2
[M+HCOO]- 303.123781 181.7
[M+CH3COO]- 317.139431 193.8
[M+Na-2H]- 279.100246 164.0
[M]+ 258.12503142 161.8
[M]- 258.12612858 161.8
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