CID 22721869

1-(piperidine-4-carbonyl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N₃O

SMILES

C1CNCCC1C(=O)N2CCNCC2

InChI

InChI=1S/C10H19N3O/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13/h9,11-12H,1-8H2

InChIKey

LEBFHRAQVDYHQE-UHFFFAOYSA-N

Compound name

piperazin-1-yl(piperidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 197.15282 Da
Monoisotopic Mass: -0.9
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]+	198.160096	149.8
[M+Na]+	220.142038	151.1
[M-H]-	196.145544	147.4
[M+NH4]+	215.186643	162.4
[M+K]+	236.115978	147.7
[M+H-H2O]+	180.150080	140.6
[M+HCOO]-	242.151021	159.1
[M+CH3COO]-	256.166671	176.8
[M+Na-2H]-	218.127486	151.5
[M]+	197.15227142	136.7
[M]-	197.15336858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe