CID 15986686

5-sulfopentanoic acid

Structural Information

Molecular Formula

C₅H₁₀O₅S

SMILES

C(CCS(=O)(=O)O)CC(=O)O

InChI

InChI=1S/C5H10O5S/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H,8,9,10)

InChIKey

WMAZPKZPRMNATL-UHFFFAOYSA-N

Compound name

5-sulfopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 182.02489 Da
Monoisotopic Mass: -0.7
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]+	183.03217	137.8
[M+Na]+	205.01411	144.7
[M+NH4]+	200.05871	142.7
[M+K]+	220.98805	140.9
[M-H]-	181.01761	133.2
[M+Na-2H]-	202.99956	137.7
[M]+	182.02434	137.4
[M]-	182.02544	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe