CID 15160483

(2s)-2-amino-4-(4-hydroxyphenyl)butanoic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

C1=CC(=CC=C1CC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1

InChIKey

LOOZZTFGSTZNRX-VIFPVBQESA-N

Compound name

(2S)-2-amino-4-(4-hydroxyphenyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2992
Patents: 195.08954 Da
Monoisotopic Mass: -1.6
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	142.7
[M+Na]+	218.078758	148.5
[M-H]-	194.082264	143.2
[M+NH4]+	213.123363	160.0
[M+K]+	234.052698	146.1
[M+H-H2O]+	178.086800	136.9
[M+HCOO]-	240.087741	163.2
[M+CH3COO]-	254.103391	181.7
[M+Na-2H]-	216.064206	145.3
[M]+	195.08899142	140.1
[M]-	195.09008858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe