CID 73278

3-oxauracil

Structural Information

Molecular Formula

SMILES

C1=CNC(=O)OC1=O

InChI

InChI=1S/C4H3NO3/c6-3-1-2-5-4(7)8-3/h1-2H,(H,5,7)

InChIKey

WQAIPNTUCFSZRZ-UHFFFAOYSA-N

Compound name

3H-1,3-oxazine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 160
Patents: 113.01129 Da
Monoisotopic Mass: -0.4
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]+	114.01857	114.9
[M+Na]+	136.00051	128.5
[M+NH4]+	131.04511	122.4
[M+K]+	151.97445	124.0
[M-H]-	112.00401	116.4
[M+Na-2H]-	133.98596	121.6
[M]+	113.01074	117.1
[M]-	113.01184	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe