CID 561809

2-amino-1-[3-(benzyloxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C15H17NO2
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C(CN)O
InChI
InChI=1S/C15H17NO2/c16-10-15(17)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,15,17H,10-11,16H2
InChIKey
QIYWBYUBHXYPGT-UHFFFAOYSA-N
Compound name
2-amino-1-(3-phenylmethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

243.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 156.8
[M+Na]+ 266.11515 169.6
[M+NH4]+ 261.15975 165.0
[M+K]+ 282.08909 162.5
[M-H]- 242.11865 161.3
[M+Na-2H]- 264.10060 165.4
[M]+ 243.12538 159.9
[M]- 243.12648 159.9
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