CID 521224

2,2'-dithiodipropionic acid

Structural Information

Molecular Formula

C₆H₁₀O₄S₂

SMILES

CC(C(=O)O)SSC(C)C(=O)O

InChI

InChI=1S/C6H10O4S2/c1-3(5(7)8)11-12-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)

InChIKey

UTDRPUGFHHVEDG-UHFFFAOYSA-N

Compound name

2-(1-carboxyethyldisulfanyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1020
Patents: 210.00204 Da
Monoisotopic Mass: 0.9
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	144.1
[M+Na]+	232.99126	149.6
[M+NH4]+	228.03586	149.7
[M+K]+	248.96520	144.8
[M-H]-	208.99476	140.4
[M+Na-2H]-	230.97671	142.7
[M]+	210.00149	144.2
[M]-	210.00259	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe