CID 119765

Brn 2834405

Structural Information

Molecular Formula
C6H13NO3S2
SMILES
C1CC1CNCCSS(=O)(=O)O
InChI
InChI=1S/C6H13NO3S2/c8-12(9,10)11-4-3-7-5-6-1-2-6/h6-7H,1-5H2,(H,8,9,10)
InChIKey
UMSBICJLRLBRSQ-UHFFFAOYSA-N
Compound name
(2-sulfosulfanylethylamino)methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.03369 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04097 136.7
[M+Na]+ 234.02291 144.1
[M-H]- 210.02641 139.0
[M+NH4]+ 229.06751 149.9
[M+K]+ 249.99685 139.1
[M+H-H2O]+ 194.03095 130.4
[M+HCOO]- 256.03189 148.7
[M+CH3COO]- 270.04754 184.5
[M+Na-2H]- 232.00836 139.8
[M]+ 211.03314 141.2
[M]- 211.03424 141.2
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.