CID 70594970

5-amino-3-methyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C5H7N3O
SMILES
CN1C=NC=C(C1=O)N
InChI
InChI=1S/C5H7N3O/c1-8-3-7-2-4(6)5(8)9/h2-3H,6H2,1H3
InChIKey
YAVKAWNRDRKKMH-UHFFFAOYSA-N
Compound name
5-amino-3-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

125.058914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 121.5
[M+Na]+ 148.04813 132.1
[M-H]- 124.05164 123.0
[M+NH4]+ 143.09274 141.1
[M+K]+ 164.02207 130.3
[M+H-H2O]+ 108.05617 114.9
[M+HCOO]- 170.05712 145.6
[M+CH3COO]- 184.07276 172.2
[M+Na-2H]- 146.03358 129.8
[M]+ 125.05837 120.8
[M]- 125.05946 120.8
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

patents stripe