CID 3032287

Glycine, n,n'-(1,2-dithioxo-1,2-ethanediyl)bis-

Structural Information

Molecular Formula
C6H8N2O4S2
SMILES
C(C(=O)O)NC(=S)C(=S)NCC(=O)O
InChI
InChI=1S/C6H8N2O4S2/c9-3(10)1-7-5(13)6(14)8-2-4(11)12/h1-2H2,(H,7,13)(H,8,14)(H,9,10)(H,11,12)
InChIKey
LJIPVCWBVLYNOV-UHFFFAOYSA-N
Compound name
2-[[2-(carboxymethylamino)-2-sulfanylideneethanethioyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

235.99255 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99983 148.8
[M+Na]+ 258.98177 152.1
[M-H]- 234.98527 145.2
[M+NH4]+ 254.02637 163.8
[M+K]+ 274.95571 148.1
[M+H-H2O]+ 218.98981 142.4
[M+HCOO]- 280.99075 156.9
[M+CH3COO]- 295.00640 187.0
[M+Na-2H]- 256.96722 146.4
[M]+ 235.99200 147.1
[M]- 235.99310 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe