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

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 158.9
[M+Na]+ 281.11480 165.9
[M-H]- 257.11830 164.2
[M+NH4]+ 276.15940 175.0
[M+K]+ 297.08874 162.3
[M+H-H2O]+ 241.12284 151.2
[M+HCOO]- 303.12378 181.7
[M+CH3COO]- 317.13943 193.8
[M+Na-2H]- 279.10025 164.0
[M]+ 258.12503 161.8
[M]- 258.12613 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