CID 451930

Pmeu

Structural Information

Molecular Formula

C₇H₁₁N₂O₆P

SMILES

C1=CN(C(=O)NC1=O)CCOCP(=O)(O)O

InChI

InChI=1S/C7H11N2O6P/c10-6-1-2-9(7(11)8-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H,8,10,11)(H2,12,13,14)

InChIKey

NSNIHJVGRJCLKR-UHFFFAOYSA-N

Compound name

2-(2,4-dioxopyrimidin-1-yl)ethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 250.03548 Da
Monoisotopic Mass: -2.7
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]+	251.04276	150.5
[M+Na]+	273.02470	158.9
[M-H]-	249.02820	146.8
[M+NH4]+	268.06930	163.3
[M+K]+	288.99864	156.6
[M+H-H2O]+	233.03274	141.5
[M+HCOO]-	295.03368	173.6
[M+CH3COO]-	309.04933	183.2
[M+Na-2H]-	271.01015	154.2
[M]+	250.03493	152.8
[M]-	250.03603	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe