CID 70122

1,3-dimethyluracil

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CN1C=CC(=O)N(C1=O)C
InChI
InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
InChIKey
JSDBKAHWADVXFU-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

34
References

1354
Patents

140.05858 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 122.2
[M+Na]+ 163.04780 134.4
[M-H]- 139.05130 124.5
[M+NH4]+ 158.09240 142.0
[M+K]+ 179.02174 132.7
[M+H-H2O]+ 123.05584 116.0
[M+HCOO]- 185.05678 146.0
[M+CH3COO]- 199.07243 173.5
[M+Na-2H]- 161.03325 130.0
[M]+ 140.05803 124.8
[M]- 140.05913 124.8
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