CID 64071175

4-amino-5-(4-chlorophenyl)-1-methylpyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
CN1C(C(CC1=O)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2O/c1-14-10(15)6-9(13)11(14)7-2-4-8(12)5-3-7/h2-5,9,11H,6,13H2,1H3
InChIKey
CXQPTCSGBZTHHU-UHFFFAOYSA-N
Compound name
4-amino-5-(4-chlorophenyl)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07164 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 149.4
[M+Na]+ 247.06086 159.1
[M-H]- 223.06436 154.7
[M+NH4]+ 242.10546 168.9
[M+K]+ 263.03480 153.9
[M+H-H2O]+ 207.06890 143.1
[M+HCOO]- 269.06984 167.5
[M+CH3COO]- 283.08549 190.0
[M+Na-2H]- 245.04631 150.4
[M]+ 224.07109 148.4
[M]- 224.07219 148.4
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.