CID 131271060

2-(2-chloropyridin-4-yl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CC(C)(C#N)C1=CC(=NC=C1)Cl
InChI
InChI=1S/C9H9ClN2/c1-9(2,6-11)7-3-4-12-8(10)5-7/h3-5H,1-2H3
InChIKey
PEEFZNCHDXAWTO-UHFFFAOYSA-N
Compound name
2-(2-chloropyridin-4-yl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

180.04543 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 137.1
[M+Na]+ 203.03465 150.6
[M+NH4]+ 198.07925 142.6
[M+K]+ 219.00859 140.8
[M-H]- 179.03815 131.6
[M+Na-2H]- 201.02010 142.3
[M]+ 180.04488 137.1
[M]- 180.04598 137.1
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

patents stripe