CID 210274

Brn 2976956

Structural Information

Molecular Formula
C11H23NO3S2
SMILES
C1CCC(CC1)CCCNCCSS(=O)(=O)O
InChI
InChI=1S/C11H23NO3S2/c13-17(14,15)16-10-9-12-8-4-7-11-5-2-1-3-6-11/h11-12H,1-10H2,(H,13,14,15)
InChIKey
NIFFJRXDUVHOFH-UHFFFAOYSA-N
Compound name
3-(2-sulfosulfanylethylamino)propylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11194 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11922 161.6
[M+Na]+ 304.10116 167.2
[M+NH4]+ 299.14576 168.2
[M+K]+ 320.07510 159.0
[M-H]- 280.10466 161.5
[M+Na-2H]- 302.08661 163.0
[M]+ 281.11139 162.9
[M]- 281.11249 162.9
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.