CID 102509

Wr 2402

Structural Information

Molecular Formula
C10H23NO3S2
SMILES
CCCCC(CCC)NCCSS(=O)(=O)O
InChI
InChI=1S/C10H23NO3S2/c1-3-5-7-10(6-4-2)11-8-9-15-16(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)
InChIKey
FGTLRXFTKHKPRQ-UHFFFAOYSA-N
Compound name
4-(2-sulfosulfanylethylamino)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11194 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11922 163.0
[M+Na]+ 292.10116 168.1
[M+NH4]+ 287.14576 168.5
[M+K]+ 308.07510 160.7
[M-H]- 268.10466 160.4
[M+Na-2H]- 290.08661 162.2
[M]+ 269.11139 163.5
[M]- 269.11249 163.5
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.