CID 50909243

Refchem:944578

Structural Information

Molecular Formula

C₅H₁₀O₆

SMILES

[C@H]1([C@H](O[C@H]([C@@H](C1O)O)O)O)O

InChI

InChI=1S/C5H10O6/c6-1-2(7)4(9)11-5(10)3(1)8/h1-10H/t1?,2-,3+,4-,5+

InChIKey

HEHIOFQJTRFOKM-ASQQECOQSA-N

Compound name

(2S,3S,5R,6R)-oxane-2,3,4,5,6-pentol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.04774 Da
Monoisotopic Mass: -3.0
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]+	167.05502	130.9
[M+Na]+	189.03696	138.1
[M-H]-	165.04046	129.0
[M+NH4]+	184.08156	147.2
[M+K]+	205.01090	137.4
[M+H-H2O]+	149.04500	126.8
[M+HCOO]-	211.04594	145.0
[M+CH3COO]-	225.06159	166.1
[M+Na-2H]-	187.02241	134.1
[M]+	166.04719	126.8
[M]-	166.04829	126.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.