CID 210298

Brn 1989365

Structural Information

Molecular Formula
C13H27NO4S2
SMILES
C1CCC(C1)OCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C13H27NO4S2/c15-20(16,17)19-12-10-14-9-5-1-2-6-11-18-13-7-3-4-8-13/h13-14H,1-12H2,(H,15,16,17)
InChIKey
VYVMVTIASBGUMD-UHFFFAOYSA-N
Compound name
6-(2-sulfosulfanylethylamino)hexoxycyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.13815 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14543 176.0
[M+Na]+ 348.12737 178.6
[M-H]- 324.13087 175.9
[M+NH4]+ 343.17197 191.0
[M+K]+ 364.10131 174.1
[M+H-H2O]+ 308.13541 169.6
[M+HCOO]- 370.13635 185.3
[M+CH3COO]- 384.15200 201.6
[M+Na-2H]- 346.11282 174.7
[M]+ 325.13760 179.4
[M]- 325.13870 179.4
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.