CID 165900158

4,6-dimethyl 2-(chloromethyl)pyrimidine-4,6-dicarboxylate

Structural Information

Molecular Formula
C9H9ClN2O4
SMILES
COC(=O)C1=CC(=NC(=N1)CCl)C(=O)OC
InChI
InChI=1S/C9H9ClN2O4/c1-15-8(13)5-3-6(9(14)16-2)12-7(4-10)11-5/h3H,4H2,1-2H3
InChIKey
MSNIVJWLIHGWQN-UHFFFAOYSA-N
Compound name
dimethyl 2-(chloromethyl)pyrimidine-4,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02509 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03237 148.0
[M+Na]+ 267.01431 160.5
[M+NH4]+ 262.05891 153.7
[M+K]+ 282.98825 156.1
[M-H]- 243.01781 146.8
[M+Na-2H]- 264.99976 152.7
[M]+ 244.02454 149.4
[M]- 244.02564 149.4
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.