CID 64808

2-amino-3-phenylbutanoic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(C1=CC=CC=C1)C(C(=O)O)N

InChI

InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)

InChIKey

IRZQDMYEJPNDEN-UHFFFAOYSA-N

Compound name

2-amino-3-phenylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 1255
Patents: 179.09464 Da
Monoisotopic Mass: -1.1
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]+	180.10192	139.8
[M+Na]+	202.08386	149.5
[M+NH4]+	197.12846	147.0
[M+K]+	218.05780	145.5
[M-H]-	178.08736	140.8
[M+Na-2H]-	200.06931	144.7
[M]+	179.09409	141.1
[M]-	179.09519	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe