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

57
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 135.3
[M+Na]+ 203.03465 146.8
[M-H]- 179.03815 137.4
[M+NH4]+ 198.07925 153.2
[M+K]+ 219.00859 142.5
[M+H-H2O]+ 163.04269 123.3
[M+HCOO]- 225.04363 149.9
[M+CH3COO]- 239.05928 194.3
[M+Na-2H]- 201.02010 140.2
[M]+ 180.04488 132.3
[M]- 180.04598 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