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
4
Annotation Hits

1
References

16
Patents

208.03403 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.041306 142.9
[M+Na]+ 231.023248 146.9
[M-H]- 207.026754 139.4
[M+NH4]+ 226.067853 159.8
[M+K]+ 246.997188 142.0
[M+H-H2O]+ 191.031290 136.8
[M+HCOO]- 253.032231 152.4
[M+CH3COO]- 267.047881 182.5
[M+Na-2H]- 229.008696 142.0
[M]+ 208.03348142 141.1
[M]- 208.03457858 141.1
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