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]+ 189.042526 134.2
[M+Na]+ 211.024468 145.0
[M-H]- 187.027974 135.5
[M+NH4]+ 206.069073 152.6
[M+K]+ 226.998408 142.6
[M+H-H2O]+ 171.032510 127.8
[M+HCOO]- 233.033451 152.6
[M+CH3COO]- 247.049101 180.8
[M+Na-2H]- 209.009916 141.7
[M]+ 188.03470142 139.8
[M]- 188.03579858 139.8
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.