CID 135422287

89280-49-9

Structural Information

Molecular Formula
C5H6ClN3O
SMILES
CNC1=C(N=CNC1=O)Cl
InChI
InChI=1S/C5H6ClN3O/c1-7-3-4(6)8-2-9-5(3)10/h2,7H,1H3,(H,8,9,10)
InChIKey
UFIGIMMPSBPXCF-UHFFFAOYSA-N
Compound name
4-chloro-5-(methylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.01994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.027216 127.4
[M+Na]+ 182.009158 138.1
[M-H]- 158.012664 127.6
[M+NH4]+ 177.053763 145.9
[M+K]+ 197.983098 133.9
[M+H-H2O]+ 142.017200 121.5
[M+HCOO]- 204.018141 145.9
[M+CH3COO]- 218.033791 174.2
[M+Na-2H]- 179.994606 135.6
[M]+ 159.01939142 127.5
[M]- 159.02048858 127.5
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

No patent data available for this compound.