CID 439241

Lichenin

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

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

InChI

InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2/t4-,5-,6-/m0/s1

InChIKey

CXKKSSKKIOZUNR-ZLUOBGJFSA-N

Compound name

(2S,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 72
References: 257
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]+	163.060106	130.5
[M+Na]+	185.042048	137.9
[M-H]-	161.045554	129.9
[M+NH4]+	180.086653	147.6
[M+K]+	201.015988	137.1
[M+H-H2O]+	145.050090	126.0
[M+HCOO]-	207.051031	147.2
[M+CH3COO]-	221.066681	167.1
[M+Na-2H]-	183.027496	135.3
[M]+	162.05228142	128.1
[M]-	162.05337858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe