CID 3032652

N,n'-diethyldithiooxamide

Structural Information

Molecular Formula

C₆H₁₂N₂S₂

SMILES

CCNC(=S)C(=S)NCC

InChI

InChI=1S/C6H12N2S2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)

InChIKey

UCZDKRCEDKACKB-UHFFFAOYSA-N

Compound name

N,N'-diethylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 176.04419 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]+	177.05147	136.5
[M+Na]+	199.03341	141.9
[M-H]-	175.03691	136.3
[M+NH4]+	194.07801	156.4
[M+K]+	215.00735	138.1
[M+H-H2O]+	159.04145	130.4
[M+HCOO]-	221.04239	148.4
[M+CH3COO]-	235.05804	183.4
[M+Na-2H]-	197.01886	136.0
[M]+	176.04364	135.7
[M]-	176.04474	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe