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

3
Annotation Hits: 14
References: 18542
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	129.2
[M+Na]+	203.99458	137.7
[M+NH4]+	199.03918	139.9
[M+K]+	219.96852	127.4
[M-H]-	179.99808	133.1
[M+Na-2H]-	201.98003	133.4
[M]+	181.00481	132.8
[M]-	181.00591	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe