CID 10583108

2-deoxy-scyllo-inosose

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

C1[C@H]([C@@H]([C@H]([C@@H](C1=O)O)O)O)O

InChI

InChI=1S/C6H10O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-7,9-11H,1H2/t2-,4+,5-,6-/m1/s1

InChIKey

GZYCZKBRQBKGJW-FSZQNWAESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 99
Patents: 162.05283 Da
Monoisotopic Mass: -2.7
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]+	163.06011	130.4
[M+Na]+	185.04205	139.1
[M+NH4]+	180.08665	136.3
[M+K]+	201.01599	137.0
[M-H]-	161.04555	128.6
[M+Na-2H]-	183.02750	131.5
[M]+	162.05228	130.5
[M]-	162.05338	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe