CID 118853

N-(4-chlorophenyl)pyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
C1CCN(C1)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2O/c12-9-3-5-10(6-4-9)13-11(15)14-7-1-2-8-14/h3-6H,1-2,7-8H2,(H,13,15)
InChIKey
RTBUUFKTGZOHCA-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

9
Patents

224.07164 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 148.6
[M+Na]+ 247.06086 160.2
[M+NH4]+ 242.10546 157.3
[M+K]+ 263.03480 155.1
[M-H]- 223.06436 152.0
[M+Na-2H]- 245.04631 155.6
[M]+ 224.07109 151.3
[M]- 224.07219 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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