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]+ 197.047616 137.4
[M+Na]+ 219.029558 148.9
[M-H]- 195.033064 139.6
[M+NH4]+ 214.074163 154.8
[M+K]+ 235.003498 145.2
[M+H-H2O]+ 179.037600 125.3
[M+HCOO]- 241.038541 152.3
[M+CH3COO]- 255.054191 196.0
[M+Na-2H]- 217.015006 142.4
[M]+ 196.03979142 135.8
[M]- 196.04088858 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.