CID 70926

1190-88-1

Structural Information

Molecular Formula

C₆H₁₅NO₃S₂

SMILES

CCCCNCCSS(=O)(=O)O

InChI

InChI=1S/C6H15NO3S2/c1-2-3-4-7-5-6-11-12(8,9)10/h7H,2-6H2,1H3,(H,8,9,10)

InChIKey

HMOFROZMGLUQPI-UHFFFAOYSA-N

Compound name

1-(2-sulfosulfanylethylamino)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.04933 Da
Monoisotopic Mass: -1.9
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]+	214.05661	146.8
[M+Na]+	236.03855	153.2
[M+NH4]+	231.08315	153.1
[M+K]+	252.01249	145.8
[M-H]-	212.04205	144.7
[M+Na-2H]-	234.02400	147.2
[M]+	213.04878	147.7
[M]-	213.04988	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.