CID 577800

56302-41-1

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

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

InChI

InChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2

InChIKey

WDNQOCWBZBGFHU-UHFFFAOYSA-N

Compound name

(4-aminophenyl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 304
Patents: 190.11061 Da
Monoisotopic Mass: 1.2
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	143.1
[M+Na]+	213.09983	153.6
[M+NH4]+	208.14443	151.4
[M+K]+	229.07377	149.6
[M-H]-	189.10333	146.3
[M+Na-2H]-	211.08528	149.5
[M]+	190.11006	145.2
[M]-	190.11116	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe