CID 3073825

4(1h)-pyrimidinone, 5-(4-morpholinyl)-

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1COCCN1C2=CN=CNC2=O
InChI
InChI=1S/C8H11N3O2/c12-8-7(5-9-6-10-8)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10,12)
InChIKey
SWJMXJLFSMWVJZ-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 138.2
[M+Na]+ 204.07435 145.2
[M-H]- 180.07785 139.5
[M+NH4]+ 199.11895 151.5
[M+K]+ 220.04829 143.2
[M+H-H2O]+ 164.08239 129.1
[M+HCOO]- 226.08333 154.3
[M+CH3COO]- 240.09898 149.5
[M+Na-2H]- 202.05980 145.7
[M]+ 181.08458 133.6
[M]- 181.08568 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.