CID 28618

Alpha-hydroxy-beta-phenylethylamine

Structural Information

Molecular Formula
C8H11NO
SMILES
C1=CC=C(C=C1)CC(N)O
InChI
InChI=1S/C8H11NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKey
DVPHFCAEZWKFDG-UHFFFAOYSA-N
Compound name
1-amino-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

918
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 128.0
[M+Na]+ 160.07328 139.2
[M+NH4]+ 155.11788 136.7
[M+K]+ 176.04722 133.6
[M-H]- 136.07678 130.3
[M+Na-2H]- 158.05873 134.8
[M]+ 137.08351 130.0
[M]- 137.08461 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe