CID 203108

S-1-aminocyclohexanemethylthiosulfuric acid

Structural Information

Molecular Formula
C7H15NO3S2
SMILES
C1CCC(CC1)(CSS(=O)(=O)O)N
InChI
InChI=1S/C7H15NO3S2/c8-7(4-2-1-3-5-7)6-12-13(9,10)11/h1-6,8H2,(H,9,10,11)
InChIKey
LPGUQYVNJVQJBE-UHFFFAOYSA-N
Compound name
1-amino-1-(sulfosulfanylmethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04933 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05661 145.5
[M+Na]+ 248.03855 151.8
[M+NH4]+ 243.08315 154.1
[M+K]+ 264.01249 143.1
[M-H]- 224.04205 145.3
[M+Na-2H]- 246.02400 149.3
[M]+ 225.04878 147.1
[M]- 225.04988 147.1
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.