CID 18755352

3-amino-3-(pyridin-2-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C8H10N2O2/c9-6(5-8(11)12)7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)

InChIKey

WCLGSNNEAOFFCL-UHFFFAOYSA-N

Compound name

3-amino-3-pyridin-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 166.07423 Da
Monoisotopic Mass: -3.0
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]+	167.08151	134.6
[M+Na]+	189.06345	144.8
[M+NH4]+	184.10805	141.4
[M+K]+	205.03739	140.7
[M-H]-	165.06695	135.0
[M+Na-2H]-	187.04890	139.9
[M]+	166.07368	135.7
[M]-	166.07478	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe