CID 23116641

2490402-27-0

Structural Information

Molecular Formula

C₁₂H₁₉N₃

SMILES

CN(C)C1=CC=CC(=C1)N2CCNCC2

InChI

InChI=1S/C12H19N3/c1-14(2)11-4-3-5-12(10-11)15-8-6-13-7-9-15/h3-5,10,13H,6-9H2,1-2H3

InChIKey

XDTCKASXTIMKBV-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-piperazin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 205.1579 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]+	206.16518	148.8
[M+Na]+	228.14712	160.7
[M+NH4]+	223.19172	157.3
[M+K]+	244.12106	153.9
[M-H]-	204.15062	152.8
[M+Na-2H]-	226.13257	156.5
[M]+	205.15735	151.4
[M]-	205.15845	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe