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 145.9
[M+Na]+ 248.03855 150.7
[M-H]- 224.04205 146.0
[M+NH4]+ 243.08315 164.6
[M+K]+ 264.01249 146.9
[M+H-H2O]+ 208.04659 141.4
[M+HCOO]- 270.04753 153.8
[M+CH3COO]- 284.06318 181.2
[M+Na-2H]- 246.02400 148.8
[M]+ 225.04878 143.0
[M]- 225.04988 143.0
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.