CID 13849137

2-chloro-4,5,6-trimethylnicotinonitrile

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CC1=C(C(=C(N=C1C)Cl)C#N)C
InChI
InChI=1S/C9H9ClN2/c1-5-6(2)8(4-11)9(10)12-7(5)3/h1-3H3
InChIKey
OPJDHHFDFUSYCZ-UHFFFAOYSA-N
Compound name
2-chloro-4,5,6-trimethylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

180.04543 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 132.7
[M+Na]+ 203.03465 147.4
[M+NH4]+ 198.07925 138.4
[M+K]+ 219.00859 137.4
[M-H]- 179.03815 127.9
[M+Na-2H]- 201.02010 137.6
[M]+ 180.04488 133.0
[M]- 180.04598 133.0
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