CID 56877

Brn 5026726

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C13H16N2O2/c16-12(15-8-4-5-9-15)10-14-13(17)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,17)

InChIKey

CXSUVQOSBPNFDM-UHFFFAOYSA-N

Compound name

N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 232.12119 Da
Monoisotopic Mass: 0.7
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]+	233.12847	153.7
[M+Na]+	255.11041	157.6
[M-H]-	231.11391	158.2
[M+NH4]+	250.15501	170.9
[M+K]+	271.08435	155.3
[M+H-H2O]+	215.11845	145.5
[M+HCOO]-	277.11939	174.9
[M+CH3COO]-	291.13504	189.9
[M+Na-2H]-	253.09586	155.8
[M]+	232.12064	150.1
[M]-	232.12174	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe