CID 50998928

Ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
CCOC(=O)C1=C(C(=NC(=N1)C)Cl)C
InChI
InChI=1S/C9H11ClN2O2/c1-4-14-9(13)7-5(2)8(10)12-6(3)11-7/h4H2,1-3H3
InChIKey
PFJNNQORFKVGNM-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

214.0509 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05818 143.4
[M+Na]+ 237.04012 157.6
[M+NH4]+ 232.08472 150.7
[M+K]+ 253.01406 151.5
[M-H]- 213.04362 143.8
[M+Na-2H]- 235.02557 149.3
[M]+ 214.05035 145.7
[M]- 214.05145 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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