CID 79811

2-amino-4-chloro-6-methoxypyrimidine

Structural Information

Molecular Formula
C5H6ClN3O
SMILES
COC1=CC(=NC(=N1)N)Cl
InChI
InChI=1S/C5H6ClN3O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChIKey
VFEYBTFCBZMBAU-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

932
Patents

159.01994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.027216 127.8
[M+Na]+ 182.009158 138.6
[M-H]- 158.012664 128.8
[M+NH4]+ 177.053763 146.8
[M+K]+ 197.983098 135.6
[M+H-H2O]+ 142.017200 121.6
[M+HCOO]- 204.018141 147.0
[M+CH3COO]- 218.033791 176.9
[M+Na-2H]- 179.994606 135.5
[M]+ 159.01939142 129.5
[M]- 159.02048858 129.5
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