CID 210571

Brn 3053569

Structural Information

Molecular Formula
C11H25NO4S2
SMILES
C(CCCCNCCSS(=O)(=O)O)CCCCO
InChI
InChI=1S/C11H25NO4S2/c13-10-7-5-3-1-2-4-6-8-12-9-11-17-18(14,15)16/h12-13H,1-11H2,(H,14,15,16)
InChIKey
RFBZMIKSEGRCBT-UHFFFAOYSA-N
Compound name
1-hydroxy-9-(2-sulfosulfanylethylamino)nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1225 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12978 167.2
[M+Na]+ 322.11172 170.1
[M-H]- 298.11522 162.7
[M+NH4]+ 317.15632 180.7
[M+K]+ 338.08566 164.5
[M+H-H2O]+ 282.11976 160.5
[M+HCOO]- 344.12070 175.5
[M+CH3COO]- 358.13635 197.0
[M+Na-2H]- 320.09717 167.0
[M]+ 299.12195 171.7
[M]- 299.12305 171.7
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.