CID 210344

Brn 1993656

Structural Information

Molecular Formula
C14H29NO4S2
SMILES
C1CCC(CC1)COCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C14H29NO4S2/c16-21(17,18)20-12-10-15-9-5-2-6-11-19-13-14-7-3-1-4-8-14/h14-15H,1-13H2,(H,16,17,18)
InChIKey
UYMVJGHGINEMTJ-UHFFFAOYSA-N
Compound name
5-(2-sulfosulfanylethylamino)pentoxymethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1538 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16108 176.3
[M+Na]+ 362.14302 180.9
[M+NH4]+ 357.18762 181.9
[M+K]+ 378.11696 172.6
[M-H]- 338.14652 175.6
[M+Na-2H]- 360.12847 176.8
[M]+ 339.15325 177.2
[M]- 339.15435 177.2
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.