CID 110807

2,3-dimercaptopropionic acid

Structural Information

Molecular Formula

C₃H₆O₂S₂

SMILES

C(C(C(=O)O)S)S

InChI

InChI=1S/C3H6O2S2/c4-3(5)2(7)1-6/h2,6-7H,1H2,(H,4,5)

InChIKey

AIVVKKOTAISCNQ-UHFFFAOYSA-N

Compound name

2,3-bis(sulfanyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 160
Patents: 137.98093 Da
Monoisotopic Mass: 0.4
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]+	138.98821	125.9
[M+Na]+	160.97015	134.2
[M+NH4]+	156.01475	134.1
[M+K]+	176.94409	127.2
[M-H]-	136.97365	124.8
[M+Na-2H]-	158.95560	127.2
[M]+	137.98038	127.4
[M]-	137.98148	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe