CID 30752

Brn 3081503

Structural Information

Molecular Formula

C₄H₁₁NO₃S₂

SMILES

C(CCSS(=O)(=O)O)CN

InChI

InChI=1S/C4H11NO3S2/c5-3-1-2-4-9-10(6,7)8/h1-5H2,(H,6,7,8)

InChIKey

WMKNOQCAEUTEEI-UHFFFAOYSA-N

Compound name

1-amino-4-sulfosulfanylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 185.01804 Da
Monoisotopic Mass: -3.0
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	138.5
[M+Na]+	208.00726	145.0
[M+NH4]+	203.05186	145.0
[M+K]+	223.98120	138.3
[M-H]-	184.01076	136.3
[M+Na-2H]-	205.99271	138.8
[M]+	185.01749	139.3
[M]-	185.01859	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe