CID 3076739

1-pyrrolidineacetamide, n-(4-chlorophenyl)-2-oxo-

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
C1CC(=O)N(C1)CC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2O2/c13-9-3-5-10(6-4-9)14-11(16)8-15-7-1-2-12(15)17/h3-6H,1-2,7-8H2,(H,14,16)
InChIKey
KQLCHKLSBCDDHY-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 154.8
[M+Na]+ 275.05578 166.1
[M+NH4]+ 270.10038 162.4
[M+K]+ 291.02972 161.4
[M-H]- 251.05928 157.4
[M+Na-2H]- 273.04123 160.7
[M]+ 252.06601 157.1
[M]- 252.06711 157.1
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.