CID 121206968

Methyl 6-chloro-5-methoxypyrimidine-4-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 137.2
[M+Na]+ 225.00375 151.0
[M+NH4]+ 220.04835 144.2
[M+K]+ 240.97769 145.8
[M-H]- 201.00725 137.1
[M+Na-2H]- 222.98920 143.5
[M]+ 202.01398 139.3
[M]- 202.01508 139.3
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

No patent data available for this compound.