CID 210269

S-2-(cyclohexylamino)ethyl thiosulfate

Structural Information

Molecular Formula
C8H17NO3S2
SMILES
C1CCC(CC1)NCCSS(=O)(=O)O
InChI
InChI=1S/C8H17NO3S2/c10-14(11,12)13-7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
InChIKey
VYHKRPQKDXZJKE-UHFFFAOYSA-N
Compound name
(2-sulfosulfanylethylamino)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06499 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07227 149.6
[M+Na]+ 262.05421 155.9
[M+NH4]+ 257.09881 156.7
[M+K]+ 278.02815 148.3
[M-H]- 238.05771 149.6
[M+Na-2H]- 260.03966 151.7
[M]+ 239.06444 151.0
[M]- 239.06554 151.0
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.