CID 56843759

Brn 2352643

Structural Information

Molecular Formula

C₅H₁₂N₂OS₂

SMILES

CCN(C(=S)S)NCCO

InChI

InChI=1S/C5H12N2OS2/c1-2-7(5(9)10)6-3-4-8/h6,8H,2-4H2,1H3,(H,9,10)

InChIKey

WTWMVWBKMWINNS-UHFFFAOYSA-N

Compound name

ethyl-(2-hydroxyethylamino)carbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.03911 Da
Monoisotopic Mass: 0.4
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]+	181.04639	136.1
[M+Na]+	203.02833	141.2
[M-H]-	179.03183	135.8
[M+NH4]+	198.07293	155.6
[M+K]+	219.00227	138.6
[M+H-H2O]+	163.03637	129.8
[M+HCOO]-	225.03731	148.3
[M+CH3COO]-	239.05296	184.6
[M+Na-2H]-	201.01378	136.2
[M]+	180.03856	137.1
[M]-	180.03966	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.