CID 199808

5028-17-1

Structural Information

Molecular Formula

C₁₀H₁₆N₄

SMILES

CN1CCN(CC1)C2=C(C=CC=N2)N

InChI

InChI=1S/C10H16N4/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8,11H2,1H3

InChIKey

IFHQJBQZOLOOHW-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 55
Patents: 192.1375 Da
Monoisotopic Mass: 0.4
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]+	193.14478	145.4
[M+Na]+	215.12672	151.8
[M-H]-	191.13022	147.0
[M+NH4]+	210.17132	160.2
[M+K]+	231.10066	148.4
[M+H-H2O]+	175.13476	136.0
[M+HCOO]-	237.13570	163.2
[M+CH3COO]-	251.15135	156.3
[M+Na-2H]-	213.11217	150.5
[M]+	192.13695	139.4
[M]-	192.13805	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe