CID 55267783

2-amino-3-(5-fluoropyridin-3-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula

C₈H₉FN₂O₂

SMILES

C1=C(C=NC=C1F)CC(C(=O)O)N

InChI

InChI=1S/C8H9FN2O2/c9-6-1-5(3-11-4-6)2-7(10)8(12)13/h1,3-4,7H,2,10H2,(H,12,13)

InChIKey

CDSNBGBPJCXKNW-UHFFFAOYSA-N

Compound name

2-amino-3-(5-fluoro-3-pyridinyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 184.0648 Da
Monoisotopic Mass: -2.4
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]+	185.072076	136.8
[M+Na]+	207.054018	144.0
[M-H]-	183.057524	136.2
[M+NH4]+	202.098623	153.9
[M+K]+	223.027958	141.9
[M+H-H2O]+	167.062060	129.4
[M+HCOO]-	229.063001	156.9
[M+CH3COO]-	243.078651	181.3
[M+Na-2H]-	205.039466	140.6
[M]+	184.06425142	133.3
[M]-	184.06534858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe