CID 83072749

2-(butan-2-yloxy)-6-chloropyridine-4-carbonitrile

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CCC(C)OC1=NC(=CC(=C1)C#N)Cl
InChI
InChI=1S/C10H11ClN2O/c1-3-7(2)14-10-5-8(6-12)4-9(11)13-10/h4-5,7H,3H2,1-2H3
InChIKey
WMPVQHWOHZHVOQ-UHFFFAOYSA-N
Compound name
2-butan-2-yloxy-6-chloropyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

210.05598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 141.4
[M+Na]+ 233.04520 154.6
[M+NH4]+ 228.08980 146.3
[M+K]+ 249.01914 145.0
[M-H]- 209.04870 135.9
[M+Na-2H]- 231.03065 145.7
[M]+ 210.05543 141.2
[M]- 210.05653 141.2
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.