CID 70478

1002-08-0

Structural Information

Molecular Formula

C₄H₁₁NO₃S₂

SMILES

CCNCCSS(=O)(=O)O

InChI

InChI=1S/C4H11NO3S2/c1-2-5-3-4-9-10(6,7)8/h5H,2-4H2,1H3,(H,6,7,8)

InChIKey

ZVRYGOWMYYDRID-UHFFFAOYSA-N

Compound name

1-(ethylamino)-2-sulfosulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.01804 Da
Monoisotopic Mass: -2.8
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]+	186.02532	138.8
[M+Na]+	208.00726	145.6
[M+NH4]+	203.05186	145.5
[M+K]+	223.98120	138.6
[M-H]-	184.01076	136.8
[M+Na-2H]-	205.99271	139.5
[M]+	185.01749	139.8
[M]-	185.01859	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.