CID 21955022

3-[2-(pyrrolidin-1-yl)ethyl]aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CCN(C1)CCC2=CC(=CC=C2)N

InChI

InChI=1S/C12H18N2/c13-12-5-3-4-11(10-12)6-9-14-7-1-2-8-14/h3-5,10H,1-2,6-9,13H2

InChIKey

UZELPSWMWQYMQZ-UHFFFAOYSA-N

Compound name

3-(2-pyrrolidin-1-ylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 190.147 Da
Monoisotopic Mass: 2.0
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]+	191.15428	143.7
[M+Na]+	213.13622	149.1
[M-H]-	189.13972	147.9
[M+NH4]+	208.18082	163.0
[M+K]+	229.11016	145.8
[M+H-H2O]+	173.14426	135.9
[M+HCOO]-	235.14520	165.8
[M+CH3COO]-	249.16085	184.5
[M+Na-2H]-	211.12167	147.0
[M]+	190.14645	139.1
[M]-	190.14755	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe