CID 203107

13893-12-4

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]+ 212.04097 143.7
[M+Na]+ 234.02291 150.3
[M-H]- 210.02641 144.5
[M+NH4]+ 229.06751 165.0
[M+K]+ 249.99685 146.8
[M+H-H2O]+ 194.03095 139.9
[M+HCOO]- 256.03189 154.1
[M+CH3COO]- 270.04754 177.9
[M+Na-2H]- 232.00836 145.8
[M]+ 211.03314 142.8
[M]- 211.03424 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.