CID 3080224

N-(ethoxyethyl)dithiocarbamic acid potassium salt

Structural Information

Molecular Formula
C7H15NOS3
SMILES
CCSCCOCCNC(=S)S
InChI
InChI=1S/C7H15NOS3/c1-2-12-6-5-9-4-3-8-7(10)11/h2-6H2,1H3,(H2,8,10,11)
InChIKey
JNIUXWGDKXLJEH-UHFFFAOYSA-N
Compound name
2-(2-ethylsulfanylethoxy)ethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03157 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.038846 145.0
[M+Na]+ 248.020788 150.2
[M-H]- 224.024294 143.7
[M+NH4]+ 243.065393 162.7
[M+K]+ 263.994728 144.5
[M+H-H2O]+ 208.028830 138.5
[M+HCOO]- 270.029771 150.6
[M+CH3COO]- 284.045421 190.6
[M+Na-2H]- 246.006236 143.6
[M]+ 225.03102142 147.2
[M]- 225.03211858 147.2
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.