CID 90171

23563-79-3

Structural Information

Molecular Formula
C11H24N2O3S2
SMILES
C1CCC(CC1)NCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C11H24N2O3S2/c14-18(15,16)17-10-9-12-7-4-8-13-11-5-2-1-3-6-11/h11-13H,1-10H2,(H,14,15,16)
InChIKey
ZPGBKXHLMMRACE-UHFFFAOYSA-N
Compound name
[3-(2-sulfosulfanylethylamino)propylamino]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12283 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13011 163.9
[M+Na]+ 319.11205 165.3
[M-H]- 295.11555 163.3
[M+NH4]+ 314.15665 177.6
[M+K]+ 335.08599 160.2
[M+H-H2O]+ 279.12009 156.9
[M+HCOO]- 341.12103 172.1
[M+CH3COO]- 355.13668 199.1
[M+Na-2H]- 317.09750 165.2
[M]+ 296.12228 162.0
[M]- 296.12338 162.0
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.