CID 2723872

Fructose

Structural Information

Molecular Formula

C₆H₁₂O₆

SMILES

C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O

InChI

InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1

InChIKey

LKDRXBCSQODPBY-VRPWFDPXSA-N

Compound name

(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 19440
References: 74204
Patents: 180.06339 Da
Monoisotopic Mass: -2.8
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]+	181.07067	134.3
[M+Na]+	203.05261	142.0
[M+NH4]+	198.09721	140.8
[M+K]+	219.02655	139.3
[M-H]-	179.05611	132.9
[M+Na-2H]-	201.03806	135.9
[M]+	180.06284	134.6
[M]-	180.06394	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe