CID 5050734

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

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CC1=C(N(C(=O)NC1=O)C)N
InChI
InChI=1S/C6H9N3O2/c1-3-4(7)9(2)6(11)8-5(3)10/h7H2,1-2H3,(H,8,10,11)
InChIKey
OIZFMHOUKUBDHH-UHFFFAOYSA-N
Compound name
6-amino-1,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

155.06947 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 129.1
[M+Na]+ 178.05869 140.9
[M-H]- 154.06219 129.8
[M+NH4]+ 173.10329 147.3
[M+K]+ 194.03263 137.8
[M+H-H2O]+ 138.06673 123.0
[M+HCOO]- 200.06767 151.7
[M+CH3COO]- 214.08332 176.6
[M+Na-2H]- 176.04414 134.7
[M]+ 155.06892 128.4
[M]- 155.07002 128.4
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