CID 3037908

2-dithiocarbamyl-3-dithiocarbonylthiopropanoate

Structural Information

Molecular Formula
C5H7NO2S5
SMILES
C(C(C(=O)O)NC(=S)S)SC(=S)S
InChI
InChI=1S/C5H7NO2S5/c7-3(8)2(6-4(9)10)1-13-5(11)12/h2H,1H2,(H,7,8)(H,11,12)(H2,6,9,10)
InChIKey
KOMMVYKIJPQGPP-UHFFFAOYSA-N
Compound name
2-(dithiocarboxyamino)-3-dithiocarboxysulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.90802 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.91530 160.2
[M+Na]+ 295.89724 162.8
[M-H]- 271.90074 154.0
[M+NH4]+ 290.94184 171.7
[M+K]+ 311.87118 151.3
[M+H-H2O]+ 255.90528 152.7
[M+HCOO]- 317.90622 148.9
[M+CH3COO]- 331.92187 197.9
[M+Na-2H]- 293.88269 157.7
[M]+ 272.90747 152.1
[M]- 272.90857 152.1
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.