CID 45588432

2-chloro-6-isopropylnicotinonitrile

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

55
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 134.8
[M+Na]+ 203.03465 148.6
[M+NH4]+ 198.07925 140.4
[M+K]+ 219.00859 138.7
[M-H]- 179.03815 129.7
[M+Na-2H]- 201.02010 139.7
[M]+ 180.04488 134.8
[M]- 180.04598 134.8
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