CID 47002195

3-chloro-6-(propan-2-yloxy)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
CC(C)OC1=NC(=C(C=C1)Cl)C#N
InChI
InChI=1S/C9H9ClN2O/c1-6(2)13-9-4-3-7(10)8(5-11)12-9/h3-4,6H,1-2H3
InChIKey
LYVOEOXDHVQNPV-UHFFFAOYSA-N
Compound name
3-chloro-6-propan-2-yloxypyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04034 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 137.3
[M+Na]+ 219.02956 150.7
[M+NH4]+ 214.07416 142.4
[M+K]+ 235.00350 141.3
[M-H]- 195.03306 131.8
[M+Na-2H]- 217.01501 141.8
[M]+ 196.03979 137.1
[M]- 196.04089 137.1
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.