CID 25203461

L-sorbosone furanose form

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

C(C(C1C(C(=O)C(O1)O)O)O)O

InChI

InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5-9,11H,1H2

InChIKey

MTSKWRIATJSKFJ-UHFFFAOYSA-N

Compound name

5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 178.04774 Da
Monoisotopic Mass: -2.2
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]+	179.055016	133.5
[M+Na]+	201.036958	140.5
[M-H]-	177.040464	132.7
[M+NH4]+	196.081563	151.3
[M+K]+	217.010898	140.2
[M+H-H2O]+	161.045000	129.5
[M+HCOO]-	223.045941	150.1
[M+CH3COO]-	237.061591	169.6
[M+Na-2H]-	199.022406	135.2
[M]+	178.04719142	131.7
[M]-	178.04828858	131.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.