CID 120767

Brn 1307483

Structural Information

Molecular Formula

C₆H₁₁NS₃

SMILES

CN(C)CC1CSC(=S)S1

InChI

InChI=1S/C6H11NS3/c1-7(2)3-5-4-9-6(8)10-5/h5H,3-4H2,1-2H3

InChIKey

RMVCGYMDVTVYKE-UHFFFAOYSA-N

Compound name

4-[(dimethylamino)methyl]-1,3-dithiolane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 193.00536 Da
Monoisotopic Mass: 2.1
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]+	194.01264	138.6
[M+Na]+	215.99458	146.2
[M-H]-	191.99808	142.6
[M+NH4]+	211.03918	160.5
[M+K]+	231.96852	142.2
[M+H-H2O]+	176.00262	133.2
[M+HCOO]-	238.00356	145.9
[M+CH3COO]-	252.01921	186.3
[M+Na-2H]-	213.98003	136.2
[M]+	193.00481	138.2
[M]-	193.00591	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe