CID 3034096

10387-35-6

Structural Information

Molecular Formula

C₅H₁₀N₂S₄

SMILES

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

InChI

InChI=1S/C5H10N2S4/c8-4(9)6-2-1-3-7-5(10)11/h1-3H2,(H2,6,8,9)(H2,7,10,11)

InChIKey

NFMYEYYJLWHHNH-UHFFFAOYSA-N

Compound name

3-(dithiocarboxyamino)propylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 225.97269 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]+	226.979966	144.6
[M+Na]+	248.961908	149.1
[M-H]-	224.965414	141.8
[M+NH4]+	244.006513	160.4
[M+K]+	264.935848	140.1
[M+H-H2O]+	208.969950	137.3
[M+HCOO]-	270.970891	143.2
[M+CH3COO]-	284.986541	193.3
[M+Na-2H]-	246.947356	143.2
[M]+	225.97214142	140.1
[M]-	225.97323858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe