CID 18800521

1-(3-aminobenzyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CC(=O)N(C1)CC2=CC(=CC=C2)N

InChI

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

InChIKey

PJNZDXATAWLXOB-UHFFFAOYSA-N

Compound name

1-[(3-aminophenyl)methyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.11061 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]+	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