CID 32064

Dihydroxyethyldithiocarbamate

Structural Information

Molecular Formula

C₅H₁₁NO₂S₂

SMILES

C(CO)N(CCO)C(=S)S

InChI

InChI=1S/C5H11NO2S2/c7-3-1-6(2-4-8)5(9)10/h7-8H,1-4H2,(H,9,10)

InChIKey

PCBLZWZCGNKODY-UHFFFAOYSA-N

Compound name

bis(2-hydroxyethyl)carbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 40
References: 155
Patents: 181.02312 Da
Monoisotopic Mass: -0.5
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]+	182.03040	136.0
[M+Na]+	204.01234	141.4
[M-H]-	180.01584	134.4
[M+NH4]+	199.05694	155.1
[M+K]+	219.98628	138.6
[M+H-H2O]+	164.02038	130.4
[M+HCOO]-	226.02132	146.3
[M+CH3COO]-	240.03697	179.2
[M+Na-2H]-	201.99779	135.4
[M]+	181.02257	137.5
[M]-	181.02367	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe