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 155.8
[M+Na]+ 266.11515 161.2
[M-H]- 242.11865 160.4
[M+NH4]+ 261.15975 171.6
[M+K]+ 282.08909 157.4
[M+H-H2O]+ 226.12319 148.2
[M+HCOO]- 288.12413 178.2
[M+CH3COO]- 302.13978 192.8
[M+Na-2H]- 264.10060 160.3
[M]+ 243.12538 154.3
[M]- 243.12648 154.3
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