CID 131277147

1-(2-chloropyridin-4-yl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C10H9ClN2
SMILES
C1CC(C1)(C#N)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C10H9ClN2/c11-9-6-8(2-5-13-9)10(7-12)3-1-4-10/h2,5-6H,1,3-4H2
InChIKey
GJHZULPWRXKWOS-UHFFFAOYSA-N
Compound name
1-(2-chloropyridin-4-yl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04543 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 131.9
[M+Na]+ 215.03465 142.4
[M-H]- 191.03815 136.4
[M+NH4]+ 210.07925 145.2
[M+K]+ 231.00859 140.4
[M+H-H2O]+ 175.04269 115.8
[M+HCOO]- 237.04363 146.1
[M+CH3COO]- 251.05928 196.0
[M+Na-2H]- 213.02010 139.2
[M]+ 192.04488 135.2
[M]- 192.04598 135.2
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

No patent data available for this compound.