CID 2736835

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CC1=CC(=NC(=N1)Cl)C(=O)OC
InChI
InChI=1S/C7H7ClN2O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3
InChIKey
ZNPORLVPCMFKOR-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6-methylpyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

478
Patents

186.0196 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 132.9
[M+Na]+ 209.00882 143.9
[M-H]- 185.01232 134.5
[M+NH4]+ 204.05342 151.4
[M+K]+ 224.98276 141.3
[M+H-H2O]+ 169.01686 126.8
[M+HCOO]- 231.01780 150.6
[M+CH3COO]- 245.03345 180.1
[M+Na-2H]- 206.99427 139.4
[M]+ 186.01905 137.2
[M]- 186.02015 137.2
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