CID 286547

180605-36-1

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

CN1CCN(CC1)C2=CC=CC=C2N

InChI

InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3

InChIKey

INWHDRNGZMHXEZ-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 124
Patents: 191.14224 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]+	192.149516	144.7
[M+Na]+	214.131458	150.6
[M-H]-	190.134964	147.6
[M+NH4]+	209.176063	160.9
[M+K]+	230.105398	147.2
[M+H-H2O]+	174.139500	136.0
[M+HCOO]-	236.140441	163.5
[M+CH3COO]-	250.156091	185.8
[M+Na-2H]-	212.116906	149.3
[M]+	191.14169142	138.5
[M]-	191.14278858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe