CID 210295

21209-22-3

Structural Information

Molecular Formula
C11H23NO4S2
SMILES
C1CCC(CC1)OCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C11H23NO4S2/c13-18(14,15)17-10-8-12-7-4-9-16-11-5-2-1-3-6-11/h11-12H,1-10H2,(H,13,14,15)
InChIKey
GXICQHUSQVYANA-UHFFFAOYSA-N
Compound name
3-(2-sulfosulfanylethylamino)propoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.10684 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11412 165.2
[M+Na]+ 320.09606 167.4
[M-H]- 296.09956 164.8
[M+NH4]+ 315.14066 179.3
[M+K]+ 336.07000 163.0
[M+H-H2O]+ 280.10410 158.6
[M+HCOO]- 342.10504 172.9
[M+CH3COO]- 356.12069 196.2
[M+Na-2H]- 318.08151 166.0
[M]+ 297.10629 165.6
[M]- 297.10739 165.6
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.