CID 440312

7634-96-0

Structural Information

Molecular Formula

C₄H₈O₂S₂

SMILES

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

InChI

InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)

InChIKey

KRHAHEQEKNJCSD-UHFFFAOYSA-N

Compound name

3-sulfanyl-2-(sulfanylmethyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1145
Patents: 151.99657 Da
Monoisotopic Mass: 0.3
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]+	153.00385	129.9
[M+Na]+	174.98579	138.1
[M+NH4]+	170.03039	138.0
[M+K]+	190.95973	130.8
[M-H]-	150.98929	128.8
[M+Na-2H]-	172.97124	131.0
[M]+	151.99602	131.4
[M]-	151.99712	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe