CID 22159351

2-(6-chloropyridin-3-yl)-2-methylpropanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
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 139.0
[M+Na]+ 203.03465 150.3
[M-H]- 179.03815 141.0
[M+NH4]+ 198.07925 156.8
[M+K]+ 219.00859 146.0
[M+H-H2O]+ 163.04269 127.1
[M+HCOO]- 225.04363 153.0
[M+CH3COO]- 239.05928 192.8
[M+Na-2H]- 201.02010 145.8
[M]+ 180.04488 135.7
[M]- 180.04598 135.7
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