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

14
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 142.9
[M+Na]+ 231.02325 146.9
[M-H]- 207.02675 139.4
[M+NH4]+ 226.06785 159.8
[M+K]+ 246.99719 142.0
[M+H-H2O]+ 191.03129 136.8
[M+HCOO]- 253.03223 152.4
[M+CH3COO]- 267.04788 182.5
[M+Na-2H]- 229.00870 142.0
[M]+ 208.03348 141.1
[M]- 208.03458 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