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 148.9
[M+Na]+ 247.06086 157.6
[M-H]- 223.06436 154.4
[M+NH4]+ 242.10546 168.4
[M+K]+ 263.03480 152.9
[M+H-H2O]+ 207.06890 142.3
[M+HCOO]- 269.06984 167.6
[M+CH3COO]- 283.08549 189.4
[M+Na-2H]- 245.04631 151.7
[M]+ 224.07109 148.5
[M]- 224.07219 148.5
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.