CID 55281490

2-amino-1-methyl-1,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C5H7N3O
SMILES
CN1C=CC(=O)N=C1N
InChI
InChI=1S/C5H7N3O/c1-8-3-2-4(9)7-5(8)6/h2-3H,1H3,(H2,6,7,9)
InChIKey
NINMLCLBRADCOF-UHFFFAOYSA-N
Compound name
2-amino-1-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

125.058914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 121.5
[M+Na]+ 148.048132 132.1
[M-H]- 124.051638 123.0
[M+NH4]+ 143.092737 141.1
[M+K]+ 164.022072 130.3
[M+H-H2O]+ 108.056174 114.9
[M+HCOO]- 170.057115 145.6
[M+CH3COO]- 184.072765 172.2
[M+Na-2H]- 146.033580 129.8
[M]+ 125.05836542 120.8
[M]- 125.05946258 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