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]+ 226.056606 145.9
[M+Na]+ 248.038548 150.7
[M-H]- 224.042054 146.0
[M+NH4]+ 243.083153 164.6
[M+K]+ 264.012488 146.9
[M+H-H2O]+ 208.046590 141.4
[M+HCOO]- 270.047531 153.8
[M+CH3COO]- 284.063181 181.2
[M+Na-2H]- 246.023996 148.8
[M]+ 225.04878142 143.0
[M]- 225.04987858 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.