CID 13828522

2-carboxy-l-lyxonate

Structural Information

Molecular Formula

C₆H₁₀O₈

SMILES

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

InChI

InChI=1S/C6H10O8/c7-1-2(8)3(9)6(14,4(10)11)5(12)13/h2-3,7-9,14H,1H2,(H,10,11)(H,12,13)

InChIKey

CQIRJDZGDXTXKF-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(1,2,3-trihydroxypropyl)propanedioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 4
Patents: 210.03757 Da
Monoisotopic Mass: -3.2
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]+	211.04485	139.8
[M+Na]+	233.02679	143.7
[M-H]-	209.03029	131.7
[M+NH4]+	228.07139	153.4
[M+K]+	249.00073	143.8
[M+H-H2O]+	193.03483	135.7
[M+HCOO]-	255.03577	151.1
[M+CH3COO]-	269.05142	172.2
[M+Na-2H]-	231.01224	140.0
[M]+	210.03702	136.7
[M]-	210.03812	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe