CID 25057

Piperidino disulfide

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₂

SMILES

C1CCN(CC1)SSN2CCCCC2

InChI

InChI=1S/C10H20N2S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H2

InChIKey

FAEFMMUOKVKFBE-UHFFFAOYSA-N

Compound name

1-(piperidin-1-yldisulfanyl)piperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 68
Patents: 232.1068 Da
Monoisotopic Mass: 3.1
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]+	233.114076	148.5
[M+Na]+	255.096018	151.6
[M-H]-	231.099524	150.1
[M+NH4]+	250.140623	163.9
[M+K]+	271.069958	147.8
[M+H-H2O]+	215.104060	140.8
[M+HCOO]-	277.105001	152.8
[M+CH3COO]-	291.120651	157.4
[M+Na-2H]-	253.081466	147.6
[M]+	232.10625142	142.1
[M]-	232.10734858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe