CID 250711

5-amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CN1C=C(C(=O)N(C1=O)C)N
InChI
InChI=1S/C6H9N3O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,7H2,1-2H3
InChIKey
KPADHLBAZFIMTA-UHFFFAOYSA-N
Compound name
5-amino-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

155.06947 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 128.0
[M+Na]+ 178.05869 140.2
[M-H]- 154.06219 130.1
[M+NH4]+ 173.10329 146.9
[M+K]+ 194.03263 138.0
[M+H-H2O]+ 138.06673 121.6
[M+HCOO]- 200.06767 152.1
[M+CH3COO]- 214.08332 179.0
[M+Na-2H]- 176.04414 134.2
[M]+ 155.06892 129.1
[M]- 155.07002 129.1
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