CID 5152323

2-chloro-4,6-dimethoxypyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

742
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 129.5
[M+Na]+ 197.00882 140.8
[M-H]- 173.01232 131.0
[M+NH4]+ 192.05342 148.5
[M+K]+ 212.98276 138.6
[M+H-H2O]+ 157.01686 123.3
[M+HCOO]- 219.01780 148.3
[M+CH3COO]- 233.03345 177.8
[M+Na-2H]- 194.99427 137.6
[M]+ 174.01905 134.8
[M]- 174.02015 134.8
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