CID 30753

21679-18-5

Structural Information

Molecular Formula

C₆H₁₅NO₃S₂

SMILES

C(CCCSS(=O)(=O)O)CCN

InChI

InChI=1S/C6H15NO3S2/c7-5-3-1-2-4-6-11-12(8,9)10/h1-7H2,(H,8,9,10)

InChIKey

FVAITYGYNLHBDF-UHFFFAOYSA-N

Compound name

1-amino-6-sulfosulfanylhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 213.04933 Da
Monoisotopic Mass: -2.2
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	146.5
[M+Na]+	236.03855	152.6
[M+NH4]+	231.08315	152.7
[M+K]+	252.01249	145.4
[M-H]-	212.04205	144.2
[M+Na-2H]-	234.02400	146.4
[M]+	213.04878	147.2
[M]-	213.04988	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe