CID 104572300

Ethyl 2-(3-chloropyridin-2-yl)-2-cyano-2-methylacetate

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CCOC(=O)C(C)(C#N)C1=C(C=CC=N1)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-3-16-10(15)11(2,7-13)9-8(12)5-4-6-14-9/h4-6H,3H2,1-2H3
InChIKey
OKZSKNNTHDOGPE-UHFFFAOYSA-N
Compound name
ethyl 2-(3-chloropyridin-2-yl)-2-cyanopropanoate
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

238.0509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 149.6
[M+Na]+ 261.04012 161.6
[M+NH4]+ 256.08472 153.4
[M+K]+ 277.01406 153.0
[M-H]- 237.04362 142.7
[M+Na-2H]- 259.02557 153.1
[M]+ 238.05035 148.8
[M]- 238.05145 148.8
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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No literature data available for this compound.

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No patent data available for this compound.