CID 447213

L-phenylalaninol

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC=C(C=C1)C[C@@H](CO)N
InChI
InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
InChIKey
STVVMTBJNDTZBF-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

54
References

5802
Patents

151.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.5
[M+Na]+ 174.08894 143.6
[M+NH4]+ 169.13354 141.0
[M+K]+ 190.06288 137.7
[M-H]- 150.09244 134.8
[M+Na-2H]- 172.07439 139.1
[M]+ 151.09917 134.5
[M]- 151.10027 134.5
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