CID 28063460

1-(2,6-dimethylpyridin-4-yl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

CC1=CC(=CC(=N1)C)N2CCNCC2

InChI

InChI=1S/C11H17N3/c1-9-7-11(8-10(2)13-9)14-5-3-12-4-6-14/h7-8,12H,3-6H2,1-2H3

InChIKey

BCANMDDAARPKKQ-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylpyridin-4-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 191.14224 Da
Monoisotopic Mass: 1.1
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]+	192.14952	146.2
[M+Na]+	214.13146	152.6
[M-H]-	190.13496	146.8
[M+NH4]+	209.17606	160.9
[M+K]+	230.10540	148.5
[M+H-H2O]+	174.13950	137.2
[M+HCOO]-	236.14044	161.7
[M+CH3COO]-	250.15609	156.8
[M+Na-2H]-	212.11691	150.8
[M]+	191.14169	140.3
[M]-	191.14279	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe