CID 3000620

94023-51-5

Structural Information

Molecular Formula

C₆H₁₂N₂O₂S₄

SMILES

C(CO)NC(=S)SSC(=S)NCCO

InChI

InChI=1S/C6H12N2O2S4/c9-3-1-7-5(11)13-14-6(12)8-2-4-10/h9-10H,1-4H2,(H,7,11)(H,8,12)

InChIKey

OSMQUMZJDRKUIJ-UHFFFAOYSA-N

Compound name

2-hydroxyethylcarbamothioylsulfanyl N-(2-hydroxyethyl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 271.97815 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.98543	153.9
[M+Na]+	294.96737	156.5
[M-H]-	270.97087	147.7
[M+NH4]+	290.01197	166.5
[M+K]+	310.94131	146.1
[M+H-H2O]+	254.97541	146.6
[M+HCOO]-	316.97635	150.2
[M+CH3COO]-	330.99200	193.4
[M+Na-2H]-	292.95282	152.6
[M]+	271.97760	148.5
[M]-	271.97870	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.