CID 145867428

2375267-76-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

C1=CC(=C[N+](=C1)[O-])CC(C(=O)O)N

InChI

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

InChIKey

FKMNCVRWARRUMR-UHFFFAOYSA-N

Compound name

2-amino-3-(1-oxidopyridin-1-ium-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 182.06914 Da
Monoisotopic Mass: -3.5
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	135.6
[M+Na]+	205.05836	147.2
[M+NH4]+	200.10296	142.3
[M+K]+	221.03230	145.6
[M-H]-	181.06186	136.7
[M+Na-2H]-	203.04381	140.2
[M]+	182.06859	137.2
[M]-	182.06969	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe