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]+ 226.03885 145.0
[M+Na]+ 248.02079 150.2
[M-H]- 224.02429 143.7
[M+NH4]+ 243.06539 162.7
[M+K]+ 263.99473 144.5
[M+H-H2O]+ 208.02883 138.5
[M+HCOO]- 270.02977 150.6
[M+CH3COO]- 284.04542 190.6
[M+Na-2H]- 246.00624 143.6
[M]+ 225.03102 147.2
[M]- 225.03212 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.