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]+ 259.041696 152.4
[M+Na]+ 281.023638 156.6
[M-H]- 257.027144 149.5
[M+NH4]+ 276.068243 167.2
[M+K]+ 296.997578 152.9
[M+H-H2O]+ 241.031680 145.7
[M+HCOO]- 303.032621 163.3
[M+CH3COO]- 317.048271 190.7
[M+Na-2H]- 279.009086 153.6
[M]+ 258.03387142 155.0
[M]- 258.03496858 155.0
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.