CID 80600

4-chloro-2,6-dimethoxypyrimidine

Structural Information

Molecular Formula
C6H7ClN2O2
SMILES
COC1=CC(=NC(=N1)OC)Cl
InChI
InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKey
JHNRTJRDRWKAIW-UHFFFAOYSA-N
Compound name
4-chloro-2,6-dimethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

549
Patents

174.0196 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02688 130.5
[M+Na]+ 197.00882 145.2
[M+NH4]+ 192.05342 138.6
[M+K]+ 212.98276 138.9
[M-H]- 173.01232 131.4
[M+Na-2H]- 194.99427 137.9
[M]+ 174.01905 133.1
[M]- 174.02015 133.1
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