CID 203107

S-1-aminocyclopentanemethylthiosulfuric acid

Structural Information

Molecular Formula
C6H13NO3S2
SMILES
C1CCC(C1)(CSS(=O)(=O)O)N
InChI
InChI=1S/C6H13NO3S2/c7-6(3-1-2-4-6)5-11-12(8,9)10/h1-5,7H2,(H,8,9,10)
InChIKey
REBIEXPWHLEQLG-UHFFFAOYSA-N
Compound name
1-amino-1-(sulfosulfanylmethyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.03369 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.040966 143.7
[M+Na]+ 234.022908 150.3
[M-H]- 210.026414 144.5
[M+NH4]+ 229.067513 165.0
[M+K]+ 249.996848 146.8
[M+H-H2O]+ 194.030950 139.9
[M+HCOO]- 256.031891 154.1
[M+CH3COO]- 270.047541 177.9
[M+Na-2H]- 232.008356 145.8
[M]+ 211.03314142 142.8
[M]- 211.03423858 142.8
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.