CID 3058343

Carbamic acid, ethylenebis((carboxymethyl)dithio-, tetraammonium salt, dihydrate

Structural Information

Molecular Formula
C8H12N2O4S4
SMILES
C(CN(CC(=O)O)C(=S)S)N(CC(=O)O)C(=S)S
InChI
InChI=1S/C8H12N2O4S4/c11-5(12)3-9(7(15)16)1-2-10(8(17)18)4-6(13)14/h1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKey
CKQKCYSBOWQFSY-UHFFFAOYSA-N
Compound name
2-[2-[carboxymethyl(dithiocarboxy)amino]ethyl-dithiocarboxyamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.968 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.97528 170.6
[M+Na]+ 350.95722 171.1
[M-H]- 326.96072 166.4
[M+NH4]+ 346.00182 181.2
[M+K]+ 366.93116 163.9
[M+H-H2O]+ 310.96526 162.4
[M+HCOO]- 372.96620 165.4
[M+CH3COO]- 386.98185 210.4
[M+Na-2H]- 348.94267 167.3
[M]+ 327.96745 168.7
[M]- 327.96855 168.7
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.