CID 118853

35640-09-6

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: 10
Patents: 224.07164 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.078916	149.8
[M+Na]+	247.060858	156.4
[M-H]-	223.064364	154.6
[M+NH4]+	242.105463	168.7
[M+K]+	263.034798	152.2
[M+H-H2O]+	207.068900	142.7
[M+HCOO]-	269.069841	167.5
[M+CH3COO]-	283.085491	186.6
[M+Na-2H]-	245.046306	152.7
[M]+	224.07109142	147.8
[M]-	224.07218858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe