CID 69762

725-32-6

Structural Information

Molecular Formula

C₁₂H₂₀N₂S₃

SMILES

C1CCN(CC1)C(=S)SC(=S)N2CCCCC2

InChI

InChI=1S/C12H20N2S3/c15-11(13-7-3-1-4-8-13)17-12(16)14-9-5-2-6-10-14/h1-10H2

InChIKey

PFOWLPUJPOQMAL-UHFFFAOYSA-N

Compound name

piperidine-1-carbothioyl piperidine-1-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1134
Patents: 288.07886 Da
Monoisotopic Mass: 3.3
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]+	289.08614	160.6
[M+Na]+	311.06808	163.1
[M-H]-	287.07158	161.1
[M+NH4]+	306.11268	173.5
[M+K]+	327.04202	156.9
[M+H-H2O]+	271.07612	153.7
[M+HCOO]-	333.07706	157.0
[M+CH3COO]-	347.09271	167.4
[M+Na-2H]-	309.05353	156.5
[M]+	288.07831	152.0
[M]-	288.07941	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe