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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05661 144.2
[M+Na]+ 236.03855 150.1
[M-H]- 212.04205 142.4
[M+NH4]+ 231.08315 162.1
[M+K]+ 252.01249 146.1
[M+H-H2O]+ 196.04659 138.5
[M+HCOO]- 258.04753 155.3
[M+CH3COO]- 272.06318 182.7
[M+Na-2H]- 234.02400 146.1
[M]+ 213.04878 147.4
[M]- 213.04988 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.