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 150.2
[M+Na]+ 262.05421 154.0
[M-H]- 238.05771 150.6
[M+NH4]+ 257.09881 166.7
[M+K]+ 278.02815 149.8
[M+H-H2O]+ 222.06225 144.3
[M+HCOO]- 284.06319 158.6
[M+CH3COO]- 298.07884 185.2
[M+Na-2H]- 260.03966 151.9
[M]+ 239.06444 148.1
[M]- 239.06554 148.1
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.