CID 53945768

2127390-55-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)C[C@H]([C@@H](C(=O)N)O)N

InChI

InChI=1S/C10H14N2O2/c11-8(9(13)10(12)14)6-7-4-2-1-3-5-7/h1-5,8-9,13H,6,11H2,(H2,12,14)/t8-,9+/m1/s1

InChIKey

JAYYJZZOYTVNHH-BDAKNGLRSA-N

Compound name

(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 194.10553 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.112806	144.3
[M+Na]+	217.094748	148.5
[M-H]-	193.098254	145.2
[M+NH4]+	212.139353	161.3
[M+K]+	233.068688	146.6
[M+H-H2O]+	177.102790	137.7
[M+HCOO]-	239.103731	165.4
[M+CH3COO]-	253.119381	186.4
[M+Na-2H]-	215.080196	146.0
[M]+	194.10498142	139.3
[M]-	194.10607858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe