CID 1899472

N,n'-dimethyldithiooxamide

Structural Information

Molecular Formula

C₄H₈N₂S₂

SMILES

CNC(=S)C(=S)NC

InChI

InChI=1S/C4H8N2S2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)

InChIKey

MQLIZYQZJMPNFI-UHFFFAOYSA-N

Compound name

N,N'-dimethylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 89
Patents: 148.0129 Da
Monoisotopic Mass: 0.5
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]+	149.02018	128.1
[M+Na]+	171.00212	134.3
[M-H]-	147.00562	128.3
[M+NH4]+	166.04672	149.1
[M+K]+	186.97606	131.0
[M+H-H2O]+	131.01016	122.4
[M+HCOO]-	193.01110	140.6
[M+CH3COO]-	207.02675	177.4
[M+Na-2H]-	168.98757	128.5
[M]+	148.01235	126.6
[M]-	148.01345	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe