CID 10081037

2260931-90-4

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

C1=CNC(=O)C=C1CC(C(=O)O)N

InChI

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

InChIKey

MNNKGGLOPMHVRG-UHFFFAOYSA-N

Compound name

2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 182.06914 Da
Monoisotopic Mass: -3.6
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]+	183.07642	137.4
[M+Na]+	205.05836	146.9
[M+NH4]+	200.10296	142.9
[M+K]+	221.03230	143.8
[M-H]-	181.06186	136.5
[M+Na-2H]-	203.04381	141.2
[M]+	182.06859	137.9
[M]-	182.06969	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe