CID 687702

37454-52-7

Structural Information

Molecular Formula
C8H11N3O3
SMILES
C1COCCN1C2=CNC(=O)NC2=O
InChI
InChI=1S/C8H11N3O3/c12-7-6(5-9-8(13)10-7)11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)
InChIKey
SIVJYKAWVLZRSX-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

69
Patents

197.08005 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 141.6
[M+Na]+ 220.06927 149.3
[M-H]- 196.07277 142.0
[M+NH4]+ 215.11387 153.7
[M+K]+ 236.04321 146.3
[M+H-H2O]+ 180.07731 132.9
[M+HCOO]- 242.07825 156.6
[M+CH3COO]- 256.09390 175.5
[M+Na-2H]- 218.05472 147.9
[M]+ 197.07950 136.4
[M]- 197.08060 136.4
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