CID 88193

19674-60-3

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=CC(=O)N(C(=O)N1)C
InChI
InChI=1S/C6H8N2O2/c1-4-3-5(9)8(2)6(10)7-4/h3H,1-2H3,(H,7,10)
InChIKey
CFADSIBRSRZBQO-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

140.05858 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 123.5
[M+Na]+ 163.047798 135.2
[M-H]- 139.051304 124.4
[M+NH4]+ 158.092403 142.6
[M+K]+ 179.021738 132.6
[M+H-H2O]+ 123.055840 117.5
[M+HCOO]- 185.056781 145.7
[M+CH3COO]- 199.072431 170.9
[M+Na-2H]- 161.033246 130.7
[M]+ 140.05803142 124.1
[M]- 140.05912858 124.1
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