CID 55267783

2247102-29-8

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-fluoropyridin-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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]+	185.07208	137.2
[M+Na]+	207.05402	146.7
[M+NH4]+	202.09862	143.1
[M+K]+	223.02796	142.9
[M-H]-	183.05752	136.0
[M+Na-2H]-	205.03947	141.5
[M]+	184.06425	137.7
[M]-	184.06535	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe