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 137.4
[M+Na]+ 219.02956 148.9
[M-H]- 195.03306 139.6
[M+NH4]+ 214.07416 154.8
[M+K]+ 235.00350 145.2
[M+H-H2O]+ 179.03760 125.3
[M+HCOO]- 241.03854 152.3
[M+CH3COO]- 255.05419 196.0
[M+Na-2H]- 217.01501 142.4
[M]+ 196.03979 135.8
[M]- 196.04089 135.8
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

No patent data available for this compound.