CID 55269088

N,n-dimethyl-4-(pyrrolidin-3-yl)aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CN(C)C1=CC=C(C=C1)C2CCNC2

InChI

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

InChIKey

NKDQMXRGXQIDSR-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-pyrrolidin-3-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 190.147 Da
Monoisotopic Mass: 1.8
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	143.9
[M+Na]+	213.13622	149.1
[M-H]-	189.13972	148.8
[M+NH4]+	208.18082	163.4
[M+K]+	229.11016	146.6
[M+H-H2O]+	173.14426	136.3
[M+HCOO]-	235.14520	165.7
[M+CH3COO]-	249.16085	186.0
[M+Na-2H]-	211.12167	147.0
[M]+	190.14645	139.8
[M]-	190.14755	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe