CID 35970

Thiocyclam

Structural Information

Molecular Formula

C₅H₁₁NS₃

SMILES

CN(C)C1CSSSC1

InChI

InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3

InChIKey

DNVLJEWNNDHELH-UHFFFAOYSA-N

Compound name

N,N-dimethyltrithian-5-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 14
References: 23530
Patents: 181.00536 Da
Monoisotopic Mass: 1.2
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]+	182.01264	132.4
[M+Na]+	203.99458	137.7
[M-H]-	179.99808	135.5
[M+NH4]+	199.03918	152.4
[M+K]+	219.96852	134.1
[M+H-H2O]+	164.00262	126.4
[M+HCOO]-	226.00356	137.7
[M+CH3COO]-	240.01921	183.5
[M+Na-2H]-	201.98003	132.6
[M]+	181.00481	129.5
[M]-	181.00591	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe