CID 3048163

1-amino-3-(4-chlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C1CN(C(=O)C1C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C10H11ClN2O/c11-8-3-1-7(2-4-8)9-5-6-13(12)10(9)14/h1-4,9H,5-6,12H2
InChIKey
DLRNOZBAXGCRCO-UHFFFAOYSA-N
Compound name
1-amino-3-(4-chlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05598 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 144.8
[M+Na]+ 233.045198 154.0
[M-H]- 209.048704 149.9
[M+NH4]+ 228.089803 164.6
[M+K]+ 249.019138 149.1
[M+H-H2O]+ 193.053240 138.4
[M+HCOO]- 255.054181 163.3
[M+CH3COO]- 269.069831 185.8
[M+Na-2H]- 231.030646 147.1
[M]+ 210.05543142 143.0
[M]- 210.05652858 143.0
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.