CID 59310008

Ethyl 4-chloro-6-methylpyrimidine-5-carboxylate

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CCOC(=O)C1=C(N=CN=C1Cl)C
InChI
InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-5(2)10-4-11-7(6)9/h4H,3H2,1-2H3
InChIKey
QRMLCDFPZGCELR-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-methylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

200.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 137.6
[M+Na]+ 223.02447 148.2
[M-H]- 199.02797 139.0
[M+NH4]+ 218.06907 155.5
[M+K]+ 238.99841 145.3
[M+H-H2O]+ 183.03251 131.3
[M+HCOO]- 245.03345 155.0
[M+CH3COO]- 259.04910 183.1
[M+Na-2H]- 221.00992 143.5
[M]+ 200.03470 142.3
[M]- 200.03580 142.3
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