CID 47002372

3-amino-1-benzylpyrrolidin-2-one

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CN(C(=O)C1N)CC2=CC=CC=C2

InChI

InChI=1S/C11H14N2O/c12-10-6-7-13(11(10)14)8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2

InChIKey

PYQJCASYSZKDLN-UHFFFAOYSA-N

Compound name

3-amino-1-benzylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 190.11061 Da
Monoisotopic Mass: 0.5
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	142.6
[M+Na]+	213.09983	153.8
[M+NH4]+	208.14443	151.0
[M+K]+	229.07377	149.2
[M-H]-	189.10333	146.1
[M+Na-2H]-	211.08528	149.1
[M]+	190.11006	144.9
[M]-	190.11116	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe