CID 129979570

4-(4-chloropyridin-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
C1C(CNC1=O)C2=NC=CC(=C2)Cl
InChI
InChI=1S/C9H9ClN2O/c10-7-1-2-11-8(4-7)6-3-9(13)12-5-6/h1-2,4,6H,3,5H2,(H,12,13)
InChIKey
DXIMXONTIZSIAS-UHFFFAOYSA-N
Compound name
4-(4-chloropyridin-2-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04034 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 139.7
[M+Na]+ 219.02956 152.9
[M+NH4]+ 214.07416 148.1
[M+K]+ 235.00350 147.8
[M-H]- 195.03306 141.7
[M+Na-2H]- 217.01501 146.5
[M]+ 196.03979 142.3
[M]- 196.04089 142.3
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

No patent data available for this compound.