CID 74717

1921-42-2

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 152.4
[M+Na]+ 264.06986 157.5
[M-H]- 240.07336 150.2
[M+NH4]+ 259.11446 169.2
[M+K]+ 280.04380 153.0
[M+H-H2O]+ 224.07790 146.4
[M+HCOO]- 286.07884 163.0
[M+CH3COO]- 300.09449 188.6
[M+Na-2H]- 262.05531 153.5
[M]+ 241.08009 156.4
[M]- 241.08119 156.4
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.