CID 3078154

Piperazine, 1-(6-(1-methylethyl)-2-pyridinyl)-, dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉N₃

SMILES

CC(C)C1=NC(=CC=C1)N2CCNCC2

InChI

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

InChIKey

UXDSQJZUYSPLOY-UHFFFAOYSA-N

Compound name

1-(6-propan-2-yl-2-pyridinyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
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	150.2
[M+Na]+	228.147118	154.9
[M-H]-	204.150624	150.3
[M+NH4]+	223.191723	164.0
[M+K]+	244.121058	151.1
[M+H-H2O]+	188.155160	140.9
[M+HCOO]-	250.156101	164.4
[M+CH3COO]-	264.171751	184.6
[M+Na-2H]-	226.132566	154.0
[M]+	205.15735142	143.7
[M]-	205.15844858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe