CID 73278

3-oxauracil

Structural Information

Molecular Formula
C4H3NO3
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

201
Patents

113.01129 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.01857 112.9
[M+Na]+ 136.00051 123.6
[M-H]- 112.00401 115.5
[M+NH4]+ 131.04511 132.5
[M+K]+ 151.97445 123.1
[M+H-H2O]+ 96.008550 107.4
[M+HCOO]- 158.00949 136.5
[M+CH3COO]- 172.02514 161.7
[M+Na-2H]- 133.98596 123.6
[M]+ 113.01074 113.6
[M]- 113.01184 113.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe