CID 52368

Carbamic acid, ethylenebis((2-cyanoethyl)dithio-, disodium salt

Structural Information

Molecular Formula
C10H14N4S4
SMILES
C(CN(CCN(CCC#N)C(=S)S)C(=S)S)C#N
InChI
InChI=1S/C10H14N4S4/c11-3-1-5-13(9(15)16)7-8-14(10(17)18)6-2-4-12/h1-2,5-8H2,(H,15,16)(H,17,18)
InChIKey
PPWXTGNZGXFQQZ-UHFFFAOYSA-N
Compound name
2-cyanoethyl-[2-[2-cyanoethyl(dithiocarboxy)amino]ethyl]carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.01013 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.01741 188.0
[M+Na]+ 340.99935 194.0
[M-H]- 317.00285 192.2
[M+NH4]+ 336.04395 197.9
[M+K]+ 356.97329 193.1
[M+H-H2O]+ 301.00739 173.0
[M+HCOO]- 363.00833 183.6
[M+CH3COO]- 377.02398 235.1
[M+Na-2H]- 338.98480 184.4
[M]+ 318.00958 181.2
[M]- 318.01068 181.2
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.