CID 86109800

4-(chloromethyl)-2,6-dimethoxypyrimidine

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
COC1=NC(=NC(=C1)CCl)OC
InChI
InChI=1S/C7H9ClN2O2/c1-11-6-3-5(4-8)9-7(10-6)12-2/h3H,4H2,1-2H3
InChIKey
LVRFJERFDMIEMS-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,6-dimethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03525 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 135.0
[M+Na]+ 211.02447 149.6
[M+NH4]+ 206.06907 143.0
[M+K]+ 226.99841 143.0
[M-H]- 187.02797 135.9
[M+Na-2H]- 209.00992 142.2
[M]+ 188.03470 137.6
[M]- 188.03580 137.6
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.