CID 126517

1,5-anhydro-d-fructose

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O

InChI

InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1

InChIKey

OCLOLUFOLJIQDC-HSUXUTPPSA-N

Compound name

(4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 43
References: 537
Patents: 162.05283 Da
Monoisotopic Mass: -1.6
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]+	163.06011	130.4
[M+Na]+	185.04205	139.7
[M+NH4]+	180.08665	136.6
[M+K]+	201.01599	137.4
[M-H]-	161.04555	130.4
[M+Na-2H]-	183.02750	131.9
[M]+	162.05228	131.3
[M]-	162.05338	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe