CID 25201238

L-sorbosone pyranose form

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

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

InChI

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

InChIKey

YOWZFXGYLFJKGZ-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydroxyoxane-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6
Patents: 178.04774 Da
Monoisotopic Mass: -2.6
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	132.5
[M+Na]+	201.036958	140.0
[M-H]-	177.040464	131.9
[M+NH4]+	196.081563	150.7
[M+K]+	217.010898	139.7
[M+H-H2O]+	161.045000	129.1
[M+HCOO]-	223.045941	148.1
[M+CH3COO]-	237.061591	168.7
[M+Na-2H]-	199.022406	138.0
[M]+	178.04719142	130.0
[M]-	178.04828858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe