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

14
Patents

243.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.133206 155.8
[M+Na]+ 266.115148 161.2
[M-H]- 242.118654 160.4
[M+NH4]+ 261.159753 171.6
[M+K]+ 282.089088 157.4
[M+H-H2O]+ 226.123190 148.2
[M+HCOO]- 288.124131 178.2
[M+CH3COO]- 302.139781 192.8
[M+Na-2H]- 264.100596 160.3
[M]+ 243.12538142 154.3
[M]- 243.12647858 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