CID 3032572

Propylenebis(dithiocarbamic) acid

Structural Information

Molecular Formula

C₅H₁₀N₂S₄

SMILES

CC(CNC(=S)S)NC(=S)S

InChI

InChI=1S/C5H10N2S4/c1-3(7-5(10)11)2-6-4(8)9/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11)

InChIKey

IJIHYLHFNAWUGR-UHFFFAOYSA-N

Compound name

1-(dithiocarboxyamino)propan-2-ylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 43
References: 41110
Patents: 225.97269 Da
Monoisotopic Mass: 1.7
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]+	226.979966	145.0
[M+Na]+	248.961908	149.1
[M-H]-	224.965414	142.2
[M+NH4]+	244.006513	160.7
[M+K]+	264.935848	140.6
[M+H-H2O]+	208.969950	137.8
[M+HCOO]-	270.970891	142.5
[M+CH3COO]-	284.986541	194.1
[M+Na-2H]-	246.947356	143.0
[M]+	225.97214142	140.1
[M]-	225.97323858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe