CID 3018845

Ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate

Structural Information

Molecular Formula
C9H11ClN2O3
SMILES
CCOC1=NC=C(C(=N1)Cl)C(=O)OCC
InChI
InChI=1S/C9H11ClN2O3/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3
InChIKey
GRLKBTHCYBPJBT-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.04582 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.053096 144.9
[M+Na]+ 253.035038 154.9
[M-H]- 229.038544 146.1
[M+NH4]+ 248.079643 161.5
[M+K]+ 269.008978 152.3
[M+H-H2O]+ 213.043080 138.1
[M+HCOO]- 275.044021 162.1
[M+CH3COO]- 289.059671 188.2
[M+Na-2H]- 251.020486 150.3
[M]+ 230.04527142 151.4
[M]- 230.04636858 151.4
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