CID 23424291

51440-83-6

Structural Information

Molecular Formula

C₆H₁₀O₃S₂

SMILES

CCOC(=S)SC(C)C(=O)O

InChI

InChI=1S/C6H10O3S2/c1-3-9-6(10)11-4(2)5(7)8/h4H,3H2,1-2H3,(H,7,8)

InChIKey

LWNPIVOFJQQAMH-UHFFFAOYSA-N

Compound name

2-ethoxycarbothioylsulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 194.00714 Da
Monoisotopic Mass: 2.0
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]+	195.01442	141.6
[M+Na]+	216.99636	148.6
[M+NH4]+	212.04096	148.4
[M+K]+	232.97030	142.1
[M-H]-	192.99986	139.4
[M+Na-2H]-	214.98181	141.5
[M]+	194.00659	142.5
[M]-	194.00769	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe