CID 12802905

1-(4-piperidinylmethyl)piperidine dihydrochloride hydrate

Structural Information

Molecular Formula

C₁₁H₂₂N₂

SMILES

C1CCN(CC1)CC2CCNCC2

InChI

InChI=1S/C11H22N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h11-12H,1-10H2

InChIKey

KQUQJHZJTWYGAQ-UHFFFAOYSA-N

Compound name

1-(piperidin-4-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 164
Patents: 182.1783 Da
Monoisotopic Mass: 1.4
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]+	183.185576	146.4
[M+Na]+	205.167518	147.6
[M-H]-	181.171024	146.5
[M+NH4]+	200.212123	161.9
[M+K]+	221.141458	144.6
[M+H-H2O]+	165.175560	137.6
[M+HCOO]-	227.176501	158.9
[M+CH3COO]-	241.192151	178.0
[M+Na-2H]-	203.152966	149.3
[M]+	182.17775142	134.9
[M]-	182.17884858	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe