CID 854073

105479-05-8

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

C1CC(=O)N(C1)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2/c16-12(10-15-8-4-7-13(15)17)14-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16)

InChIKey

ZDRGKCOOCZCMQF-UHFFFAOYSA-N

Compound name

N-benzyl-2-(2-oxopyrrolidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 0
Patents: 232.12119 Da
Monoisotopic Mass: 0.6
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]+	233.128466	152.8
[M+Na]+	255.110408	157.9
[M-H]-	231.113914	157.5
[M+NH4]+	250.155013	170.3
[M+K]+	271.084348	155.0
[M+H-H2O]+	215.118450	144.7
[M+HCOO]-	277.119391	174.9
[M+CH3COO]-	291.135041	190.8
[M+Na-2H]-	253.095856	155.4
[M]+	232.12064142	150.3
[M]-	232.12173858	150.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.