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-chloro-4-pyridinyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.04543 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.052706 139.0
[M+Na]+ 203.034648 150.3
[M-H]- 179.038154 141.0
[M+NH4]+ 198.079253 156.8
[M+K]+ 219.008588 146.0
[M+H-H2O]+ 163.042690 127.1
[M+HCOO]- 225.043631 153.0
[M+CH3COO]- 239.059281 192.8
[M+Na-2H]- 201.020096 145.8
[M]+ 180.04488142 135.7
[M]- 180.04597858 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