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

47
Patents

180.04543 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.052706 133.5
[M+Na]+ 203.034648 146.9
[M-H]- 179.038154 136.3
[M+NH4]+ 198.079253 152.1
[M+K]+ 219.008588 142.5
[M+H-H2O]+ 163.042690 122.1
[M+HCOO]- 225.043631 149.1
[M+CH3COO]- 239.059281 195.6
[M+Na-2H]- 201.020096 138.4
[M]+ 180.04488142 131.8
[M]- 180.04597858 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