CID 2724354

Succimer

Structural Information

Molecular Formula

C₄H₆O₄S₂

SMILES

[C@@H]([C@@H](C(=O)O)S)(C(=O)O)S

InChI

InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+

InChIKey

ACTRVOBWPAIOHC-XIXRPRMCSA-N

Compound name

(2S,3R)-2,3-bis(sulfanyl)butanedioic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2630
References: 14377
Patents: 181.97075 Da
Monoisotopic Mass: 0.1
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]+	182.97803	136.1
[M+Na]+	204.95997	142.0
[M+NH4]+	200.00457	142.1
[M+K]+	220.93391	137.6
[M-H]-	180.96347	132.6
[M+Na-2H]-	202.94542	135.1
[M]+	181.97020	136.3
[M]-	181.97130	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe