CID 12363083

Ethyl 4-chloro-2-ethylpyrimidine-5-carboxylate

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
CCC1=NC=C(C(=N1)Cl)C(=O)OCC
InChI
InChI=1S/C9H11ClN2O2/c1-3-7-11-5-6(8(10)12-7)9(13)14-4-2/h5H,3-4H2,1-2H3
InChIKey
BWMPMYWAOKAOGP-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-2-ethylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

214.0509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.058176 142.3
[M+Na]+ 237.040118 152.4
[M-H]- 213.043624 143.5
[M+NH4]+ 232.084723 159.6
[M+K]+ 253.014058 149.3
[M+H-H2O]+ 197.048160 135.7
[M+HCOO]- 259.049101 159.3
[M+CH3COO]- 273.064751 186.1
[M+Na-2H]- 235.025566 147.6
[M]+ 214.05035142 147.3
[M]- 214.05144858 147.3
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