CID 61049

120-54-7

Structural Information

Molecular Formula

C₁₂H₂₀N₂S₆

SMILES

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

InChI

InChI=1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2

InChIKey

VNDRMZTXEFFQDR-UHFFFAOYSA-N

Compound name

(piperidine-1-carbothioyltrisulfanyl) piperidine-1-carbodithioate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 5864
Patents: 383.9951 Da
Monoisotopic Mass: 4.3
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]+	385.00238	188.3
[M+Na]+	406.98432	190.4
[M-H]-	382.98782	183.5
[M+NH4]+	402.02892	194.9
[M+K]+	422.95826	176.4
[M+H-H2O]+	366.99236	182.1
[M+HCOO]-	428.99330	169.2
[M+CH3COO]-	443.00895	189.1
[M+Na-2H]-	404.96977	186.6
[M]+	383.99455	171.5
[M]-	383.99565	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe