CID 21132352

600725-12-0

Structural Information

Molecular Formula

C₁₂H₁₉N₃

SMILES

CN1CCC(CC1)NC2=CC=CC=C2N

InChI

InChI=1S/C12H19N3/c1-15-8-6-10(7-9-15)14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9,13H2,1H3

InChIKey

ZXONFSGVQZHXDB-UHFFFAOYSA-N

Compound name

2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 205.1579 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]+	206.165176	147.4
[M+Na]+	228.147118	152.0
[M-H]-	204.150624	151.6
[M+NH4]+	223.191723	164.1
[M+K]+	244.121058	148.6
[M+H-H2O]+	188.155160	139.2
[M+HCOO]-	250.156101	168.3
[M+CH3COO]-	264.171751	191.1
[M+Na-2H]-	226.132566	151.9
[M]+	205.15735142	140.4
[M]-	205.15844858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe