CID 310815

(ethylenedithio)diacetic acid

Structural Information

Molecular Formula

C₆H₁₀O₄S₂

SMILES

C(CSCC(=O)O)SCC(=O)O

InChI

InChI=1S/C6H10O4S2/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChIKey

CCQMORVULNZXIA-UHFFFAOYSA-N

Compound name

2-[2-(carboxymethylsulfanyl)ethylsulfanyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 853
Patents: 210.00204 Da
Monoisotopic Mass: 0.7
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]+	211.00932	144.0
[M+Na]+	232.99126	150.3
[M+NH4]+	228.03586	149.9
[M+K]+	248.96520	143.8
[M-H]-	208.99476	140.9
[M+Na-2H]-	230.97671	143.2
[M]+	210.00149	144.4
[M]-	210.00259	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe