CID 88933341

2-{[(ethylsulfanyl)methanethioyl]sulfanyl}propanoic acid

Structural Information

Molecular Formula

C₆H₁₀O₂S₃

SMILES

CCSC(=S)SC(C)C(=O)O

InChI

InChI=1S/C6H10O2S3/c1-3-10-6(9)11-4(2)5(7)8/h4H,3H2,1-2H3,(H,7,8)

InChIKey

WRYYRWJWFQIMSN-UHFFFAOYSA-N

Compound name

2-ethylsulfanylcarbothioylsulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 209.9843 Da
Monoisotopic Mass: 2.6
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]+	210.99158	143.2
[M+Na]+	232.97352	149.7
[M+NH4]+	228.01812	150.6
[M+K]+	248.94746	141.3
[M-H]-	208.97702	141.7
[M+Na-2H]-	230.95897	142.5
[M]+	209.98375	144.8
[M]-	209.98485	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe