CID 122047

Beta-(5-hydroxy-2-pyridyl)alanine

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

C1=CC(=NC=C1O)CC(C(=O)O)N

InChI

InChI=1S/C8H10N2O3/c9-7(8(12)13)3-5-1-2-6(11)4-10-5/h1-2,4,7,11H,3,9H2,(H,12,13)

InChIKey

YOZSEGPJAXTSFZ-UHFFFAOYSA-N

Compound name

2-amino-3-(5-hydroxypyridin-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 31
References: 9021
Patents: 182.06914 Da
Monoisotopic Mass: -2.8
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]+	183.07642	137.8
[M+Na]+	205.05836	147.3
[M+NH4]+	200.10296	143.7
[M+K]+	221.03230	144.3
[M-H]-	181.06186	137.2
[M+Na-2H]-	203.04381	141.8
[M]+	182.06859	138.5
[M]-	182.06969	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe