CID 3000605

Ethylenebisdithiocarbamic acid

Structural Information

Molecular Formula

C₄H₈N₂S₄

SMILES

C(CNC(=S)S)NC(=S)S

InChI

InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)

InChIKey

AWYFNIZYMPNGAI-UHFFFAOYSA-N

Compound name

2-(dithiocarboxyamino)ethylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 725
References: 80197
Patents: 211.95703 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]+	212.964306	141.0
[M+Na]+	234.946248	145.9
[M-H]-	210.949754	138.4
[M+NH4]+	229.990853	157.3
[M+K]+	250.920188	137.1
[M+H-H2O]+	194.954290	133.9
[M+HCOO]-	256.955231	139.9
[M+CH3COO]-	270.970881	190.6
[M+Na-2H]-	232.931696	140.0
[M]+	211.95648142	136.2
[M]-	211.95757858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe