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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe