CID 192877

Coriose

Structural Information

Molecular Formula

C₇H₁₄O₇

SMILES

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

InChI

InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-5,7-12,14H,1-2H2/t3-,4-,5-,7-/m1/s1

InChIKey

INYHXAFWZQXELF-FNKGTGPASA-N

Compound name

(2R,4R,5R,6R)-1,2,4,5,6,7-hexahydroxyheptan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 166
Patents: 210.07396 Da
Monoisotopic Mass: -3.9
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]+	211.08124	145.0
[M+Na]+	233.06318	147.9
[M+NH4]+	228.10778	146.9
[M+K]+	249.03712	150.5
[M-H]-	209.06668	137.2
[M+Na-2H]-	231.04863	140.9
[M]+	210.07341	142.1
[M]-	210.07451	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe