CID 152225

Diethyl dimercaptosuccinate

Structural Information

Molecular Formula

C₈H₁₄O₄S₂

SMILES

CCOC(=O)CC(C(=O)OCC)(S)S

InChI

InChI=1S/C8H14O4S2/c1-3-11-6(9)5-8(13,14)7(10)12-4-2/h13-14H,3-5H2,1-2H3

InChIKey

JZBUAOFTPQFECC-UHFFFAOYSA-N

Compound name

diethyl 2,2-bis(sulfanyl)butanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 238.03336 Da
Monoisotopic Mass: 1.2
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]+	239.04064	154.9
[M+Na]+	261.02258	161.6
[M+NH4]+	256.06718	161.0
[M+K]+	276.99652	155.1
[M-H]-	237.02608	152.1
[M+Na-2H]-	259.00803	154.6
[M]+	238.03281	155.7
[M]-	238.03391	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe