CID 7060667

5-chloro-4,6-dimethylnicotinonitrile

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=C(C(=NC=C1C#N)C)Cl
InChI
InChI=1S/C8H7ClN2/c1-5-7(3-10)4-11-6(2)8(5)9/h4H,1-2H3
InChIKey
HCBKBKLCCUVNOA-UHFFFAOYSA-N
Compound name
5-chloro-4,6-dimethylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

166.02977 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 130.0
[M+Na]+ 189.01899 143.0
[M-H]- 165.02249 132.6
[M+NH4]+ 184.06359 148.8
[M+K]+ 204.99293 138.7
[M+H-H2O]+ 149.02703 118.5
[M+HCOO]- 211.02797 145.8
[M+CH3COO]- 225.04362 191.8
[M+Na-2H]- 187.00444 136.0
[M]+ 166.02922 127.7
[M]- 166.03032 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe