CID 791811

N-phenylpyrrolidine-1-carboxamide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CCN(C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)

InChIKey

NTBKXPQLQPBJJL-UHFFFAOYSA-N

Compound name

N-phenylpyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 70
Patents: 190.11061 Da
Monoisotopic Mass: 1.6
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]+	191.11789	143.7
[M+Na]+	213.09983	154.1
[M+NH4]+	208.14443	152.1
[M+K]+	229.07377	149.6
[M-H]-	189.10333	146.9
[M+Na-2H]-	211.08528	150.7
[M]+	190.11006	145.8
[M]-	190.11116	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe