CID 472189

Chembl66090

Structural Information

Molecular Formula

C₈H₁₃N₂O₅P

SMILES

C1=CN(C(=O)C=C1N)CCOCP(=O)(O)O

InChI

InChI=1S/C8H13N2O5P/c9-7-1-2-10(8(11)5-7)3-4-15-6-16(12,13)14/h1-2,5H,3-4,6,9H2,(H2,12,13,14)

InChIKey

BCVHXLKLZHWCOX-UHFFFAOYSA-N

Compound name

2-(4-amino-2-oxopyridin-1-yl)ethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 248.05621 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]+	249.06349	152.4
[M+Na]+	271.04543	159.9
[M-H]-	247.04893	150.8
[M+NH4]+	266.09003	166.9
[M+K]+	287.01937	158.0
[M+H-H2O]+	231.05347	143.6
[M+HCOO]-	293.05441	178.1
[M+CH3COO]-	307.07006	189.0
[M+Na-2H]-	269.03088	155.2
[M]+	248.05566	154.0
[M]-	248.05676	154.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.