CID 410109

58708-58-0

Structural Information

Molecular Formula

C₆H₁₂N₂S₄

SMILES

CN(CCN(C)C(=S)S)C(=S)S

InChI

InChI=1S/C6H12N2S4/c1-7(5(9)10)3-4-8(2)6(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)

InChIKey

QGKKVHTVOAHMBK-UHFFFAOYSA-N

Compound name

2-[dithiocarboxy(methyl)amino]ethyl-methylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.98833 Da
Monoisotopic Mass: 1.6
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]+	240.99561	150.2
[M+Na]+	262.97755	154.4
[M-H]-	238.98105	150.2
[M+NH4]+	258.02215	166.7
[M+K]+	278.95149	148.1
[M+H-H2O]+	222.98559	142.3
[M+HCOO]-	284.98653	149.1
[M+CH3COO]-	299.00218	202.3
[M+Na-2H]-	260.96300	147.6
[M]+	239.98778	148.6
[M]-	239.98888	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe