CID 13849137

91591-64-9

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 133.5
[M+Na]+ 203.03465 146.9
[M-H]- 179.03815 136.3
[M+NH4]+ 198.07925 152.1
[M+K]+ 219.00859 142.5
[M+H-H2O]+ 163.04269 122.1
[M+HCOO]- 225.04363 149.1
[M+CH3COO]- 239.05928 195.6
[M+Na-2H]- 201.02010 138.4
[M]+ 180.04488 131.8
[M]- 180.04598 131.8
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

patents stripe