CID 254306

Nsc78519

Structural Information

Molecular Formula
C10H19NO7S2
SMILES
CCOC(=O)CC(C(=O)OCC)NCCSS(=O)(=O)O
InChI
InChI=1S/C10H19NO7S2/c1-3-17-9(12)7-8(10(13)18-4-2)11-5-6-19-20(14,15)16/h8,11H,3-7H2,1-2H3,(H,14,15,16)
InChIKey
BPZTXBOFRAAERE-UHFFFAOYSA-N
Compound name
1,4-diethoxy-1,4-dioxo-2-(2-sulfosulfanylethylamino)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0603 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.06758 171.3
[M+Na]+ 352.04952 173.9
[M-H]- 328.05302 168.4
[M+NH4]+ 347.09412 183.6
[M+K]+ 368.02346 171.5
[M+H-H2O]+ 312.05756 164.5
[M+HCOO]- 374.05850 179.4
[M+CH3COO]- 388.07415 202.3
[M+Na-2H]- 350.03497 170.2
[M]+ 329.05975 178.2
[M]- 329.06085 178.2
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.