CID 3982054

N,n-dimethyl-3-(pyrrolidin-2-yl)aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CN(C)C1=CC=CC(=C1)C2CCCN2

InChI

InChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12-7-4-8-13-12/h3,5-6,9,12-13H,4,7-8H2,1-2H3

InChIKey

ANJCNEGOWWWSNE-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-pyrrolidin-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 190.147 Da
Monoisotopic Mass: 1.9
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	144.9
[M+Na]+	213.13622	155.9
[M+NH4]+	208.18082	154.0
[M+K]+	229.11016	151.0
[M-H]-	189.13972	149.0
[M+Na-2H]-	211.12167	152.1
[M]+	190.14645	147.5
[M]-	190.14755	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe