CID 55268277

2-(6-chloro-2-methylpyridin-3-yl)acetonitrile

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=C(C=CC(=N1)Cl)CC#N
InChI
InChI=1S/C8H7ClN2/c1-6-7(4-5-10)2-3-8(9)11-6/h2-3H,4H2,1H3
InChIKey
ZVYOSVOFFJPAKE-UHFFFAOYSA-N
Compound name
2-(6-chloro-2-methyl-3-pyridinyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 130.5
[M+Na]+ 189.01899 142.6
[M-H]- 165.02249 132.6
[M+NH4]+ 184.06359 149.0
[M+K]+ 204.99293 138.2
[M+H-H2O]+ 149.02703 118.6
[M+HCOO]- 211.02797 146.3
[M+CH3COO]- 225.04362 190.8
[M+Na-2H]- 187.00444 137.1
[M]+ 166.02922 127.8
[M]- 166.03032 127.8
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.