CID 210297

21209-25-6

Structural Information

Molecular Formula
C13H27NO4S2
SMILES
C1CCC(CC1)OCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C13H27NO4S2/c15-20(16,17)19-12-10-14-9-5-2-6-11-18-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,15,16,17)
InChIKey
MISILYUNIIMPQU-UHFFFAOYSA-N
Compound name
5-(2-sulfosulfanylethylamino)pentoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.13815 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14543 173.2
[M+Na]+ 348.12737 174.4
[M-H]- 324.13087 172.4
[M+NH4]+ 343.17197 186.1
[M+K]+ 364.10131 169.6
[M+H-H2O]+ 308.13541 166.1
[M+HCOO]- 370.13635 180.2
[M+CH3COO]- 384.15200 202.0
[M+Na-2H]- 346.11282 173.2
[M]+ 325.13760 174.2
[M]- 325.13870 174.2
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.