CID 11997564

2-amino-4-hydroxy-4-phenylbutanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)

InChIKey

WQLIGWIJZBHBFM-UHFFFAOYSA-N

Compound name

2-amino-4-hydroxy-4-phenylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 195.08954 Da
Monoisotopic Mass: -2.2
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]+	196.096816	143.4
[M+Na]+	218.078758	148.0
[M-H]-	194.082264	143.5
[M+NH4]+	213.123363	160.3
[M+K]+	234.052698	146.1
[M+H-H2O]+	178.086800	137.4
[M+HCOO]-	240.087741	162.8
[M+CH3COO]-	254.103391	181.5
[M+Na-2H]-	216.064206	145.4
[M]+	195.08899142	139.8
[M]-	195.09008858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe