CID 218162

40283-80-5

Structural Information

Molecular Formula
C6H14N2O5S2
SMILES
C(COCCO)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C6H14N2O5S2/c7-6(5-14-15(10,11)12)8-1-3-13-4-2-9/h9H,1-5H2,(H2,7,8)(H,10,11,12)
InChIKey
FBKSTVYBFCTVIO-UHFFFAOYSA-N
Compound name
1-amino-1-[2-(2-hydroxyethoxy)ethylimino]-2-sulfosulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.03442 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04170 155.0
[M+Na]+ 281.02364 158.4
[M+NH4]+ 276.06824 159.0
[M+K]+ 296.99758 153.6
[M-H]- 257.02714 151.3
[M+Na-2H]- 279.00909 153.6
[M]+ 258.03387 154.6
[M]- 258.03497 154.6
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.