CID 45588432

108244-44-6

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CC(C)C1=NC(=C(C=C1)C#N)Cl
InChI
InChI=1S/C9H9ClN2/c1-6(2)8-4-3-7(5-11)9(10)12-8/h3-4,6H,1-2H3
InChIKey
KZXQCYPAMGNZPE-UHFFFAOYSA-N
Compound name
2-chloro-6-propan-2-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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 135.3
[M+Na]+ 203.034648 146.8
[M-H]- 179.038154 137.4
[M+NH4]+ 198.079253 153.2
[M+K]+ 219.008588 142.5
[M+H-H2O]+ 163.042690 123.3
[M+HCOO]- 225.043631 149.9
[M+CH3COO]- 239.059281 194.3
[M+Na-2H]- 201.020096 140.2
[M]+ 180.04488142 132.3
[M]- 180.04597858 132.3
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