CID 1900910

N,n'-bis(2-hydroxyethyl)dithiooxamide

Structural Information

Molecular Formula
C6H12N2O2S2
SMILES
C(CO)NC(=S)C(=S)NCCO
InChI
InChI=1S/C6H12N2O2S2/c9-3-1-7-5(11)6(12)8-2-4-10/h9-10H,1-4H2,(H,7,11)(H,8,12)
InChIKey
POHRRIXAXBVBFW-UHFFFAOYSA-N
Compound name
N,N'-bis(2-hydroxyethyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

208.03403 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04131 144.0
[M+Na]+ 231.02325 148.7
[M+NH4]+ 226.06785 150.0
[M+K]+ 246.99719 142.1
[M-H]- 207.02675 142.3
[M+Na-2H]- 229.00870 143.7
[M]+ 208.03348 144.5
[M]- 208.03458 144.5
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