CID 74717

1-(2-sulfosulfanylethylamino)hexane

Structural Information

Molecular Formula
C8H19NO3S2
SMILES
CCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C8H19NO3S2/c1-2-3-4-5-6-9-7-8-13-14(10,11)12/h9H,2-8H2,1H3,(H,10,11,12)
InChIKey
CXYFHCXKHPYNBO-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08064 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08792 154.8
[M+Na]+ 264.06986 160.8
[M+NH4]+ 259.11446 160.8
[M+K]+ 280.04380 153.0
[M-H]- 240.07336 152.6
[M+Na-2H]- 262.05531 154.8
[M]+ 241.08009 155.6
[M]- 241.08119 155.6
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.