CID 54592738

1-(2-chlorophenyl)-3-(methylamino)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
CNC1CCN(C1=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H13ClN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3
InChIKey
ACQBHEWEEYOHKA-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07164 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 147.7
[M+Na]+ 247.06086 160.4
[M+NH4]+ 242.10546 156.5
[M+K]+ 263.03480 154.9
[M-H]- 223.06436 151.4
[M+Na-2H]- 245.04631 154.6
[M]+ 224.07109 150.7
[M]- 224.07219 150.7
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.