CID 65988661

2703782-30-1

Structural Information

Molecular Formula

C₆H₁₀O₅S

SMILES

CS(=O)(=O)C1(CC(C1)O)C(=O)O

InChI

InChI=1S/C6H10O5S/c1-12(10,11)6(5(8)9)2-4(7)3-6/h4,7H,2-3H2,1H3,(H,8,9)

InChIKey

DFDPJYAMMCGSQU-UHFFFAOYSA-N

Compound name

3-hydroxy-1-methylsulfonylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.02489 Da
Monoisotopic Mass: -1.1
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]+	195.032166	135.7
[M+Na]+	217.014108	140.8
[M-H]-	193.017614	136.4
[M+NH4]+	212.058713	148.9
[M+K]+	232.988048	142.6
[M+H-H2O]+	177.022150	126.8
[M+HCOO]-	239.023091	148.0
[M+CH3COO]-	253.038741	177.0
[M+Na-2H]-	214.999556	138.7
[M]+	194.02434142	145.4
[M]-	194.02543858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.