CID 410645

Nsc30508

Structural Information

Molecular Formula
C8H16N2O2S4
SMILES
CN(CC(C(CN(C)C(=S)S)O)O)C(=S)S
InChI
InChI=1S/C8H16N2O2S4/c1-9(7(13)14)3-5(11)6(12)4-10(2)8(15)16/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKey
OCIGMFLVUYMMEB-UHFFFAOYSA-N
Compound name
[4-[dithiocarboxy(methyl)amino]-2,3-dihydroxybutyl]-methylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.00946 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.01674 163.6
[M+Na]+ 322.99868 164.4
[M-H]- 299.00218 159.7
[M+NH4]+ 318.04328 175.8
[M+K]+ 338.97262 157.6
[M+H-H2O]+ 283.00672 155.6
[M+HCOO]- 345.00766 157.6
[M+CH3COO]- 359.02331 208.2
[M+Na-2H]- 320.98413 159.5
[M]+ 300.00891 160.6
[M]- 300.01001 160.6
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.