CID 130560727

Methyl 4-chloro-5-methoxypyrimidine-2-carboxylate

Structural Information

Molecular Formula
C7H7ClN2O3
SMILES
COC1=CN=C(N=C1Cl)C(=O)OC
InChI
InChI=1S/C7H7ClN2O3/c1-12-4-3-9-6(7(11)13-2)10-5(4)8/h3H,1-2H3
InChIKey
QFKUIFBFRBKGTB-UHFFFAOYSA-N
Compound name
methyl 4-chloro-5-methoxypyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

202.01453 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02181 135.5
[M+Na]+ 225.00375 146.4
[M-H]- 201.00725 137.1
[M+NH4]+ 220.04835 153.3
[M+K]+ 240.97769 144.3
[M+H-H2O]+ 185.01179 129.2
[M+HCOO]- 247.01273 153.5
[M+CH3COO]- 261.02838 182.2
[M+Na-2H]- 222.98920 142.0
[M]+ 202.01398 141.3
[M]- 202.01508 141.3
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

patents stripe