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

18
Patents

214.0509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05818 142.3
[M+Na]+ 237.04012 152.4
[M-H]- 213.04362 143.5
[M+NH4]+ 232.08472 159.6
[M+K]+ 253.01406 149.3
[M+H-H2O]+ 197.04816 135.7
[M+HCOO]- 259.04910 159.3
[M+CH3COO]- 273.06475 186.1
[M+Na-2H]- 235.02557 147.6
[M]+ 214.05035 147.3
[M]- 214.05145 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