CID 439294

Scyllo-inosose

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

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

InChI

InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1?,2-,3+,4+,5-

InChIKey

VYEGBDHSGHXOGT-ZLIBEWLCSA-N

Compound name

(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 452
Patents: 178.04774 Da
Monoisotopic Mass: -3.3
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]+	179.05502	133.4
[M+Na]+	201.03696	141.4
[M+NH4]+	196.08156	138.3
[M+K]+	217.01090	140.4
[M-H]-	177.04046	130.5
[M+Na-2H]-	199.02241	133.2
[M]+	178.04719	133.1
[M]-	178.04829	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe