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 152.4
[M+Na]+ 281.02364 156.6
[M-H]- 257.02714 149.5
[M+NH4]+ 276.06824 167.2
[M+K]+ 296.99758 152.9
[M+H-H2O]+ 241.03168 145.7
[M+HCOO]- 303.03262 163.3
[M+CH3COO]- 317.04827 190.7
[M+Na-2H]- 279.00909 153.6
[M]+ 258.03387 155.0
[M]- 258.03497 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.