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]+ 225.078916 148.9
[M+Na]+ 247.060858 157.6
[M-H]- 223.064364 154.4
[M+NH4]+ 242.105463 168.4
[M+K]+ 263.034798 152.9
[M+H-H2O]+ 207.068900 142.3
[M+HCOO]- 269.069841 167.6
[M+CH3COO]- 283.085491 189.4
[M+Na-2H]- 245.046306 151.7
[M]+ 224.07109142 148.5
[M]- 224.07218858 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.