CID 210317

Brn 3052887

Structural Information

Molecular Formula
C10H23NO4S2
SMILES
C(CCCCO)CCCNCCSS(=O)(=O)O
InChI
InChI=1S/C10H23NO4S2/c12-9-6-4-2-1-3-5-7-11-8-10-16-17(13,14)15/h11-12H,1-10H2,(H,13,14,15)
InChIKey
UCIFAGKIWXLTLM-UHFFFAOYSA-N
Compound name
1-hydroxy-8-(2-sulfosulfanylethylamino)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10684 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11412 163.2
[M+Na]+ 308.09606 166.6
[M-H]- 284.09956 158.9
[M+NH4]+ 303.14066 177.3
[M+K]+ 324.07000 161.2
[M+H-H2O]+ 268.10410 156.7
[M+HCOO]- 330.10504 171.8
[M+CH3COO]- 344.12069 194.1
[M+Na-2H]- 306.08151 163.4
[M]+ 285.10629 167.3
[M]- 285.10739 167.3
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.