CID 439805

(2s,4r,5s)-oxane-2,4,5-triol

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

C1[C@H]([C@H](CO[C@@H]1O)O)O

InChI

InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m1/s1

InChIKey

ZVQAVWAHRUNNPG-WISUUJSJSA-N

Compound name

(2S,4R,5S)-oxane-2,4,5-triol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 37
Patents: 134.0579 Da
Monoisotopic Mass: -1.5
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]+	135.06518	124.7
[M+Na]+	157.04712	131.2
[M-H]-	133.05062	125.0
[M+NH4]+	152.09172	143.3
[M+K]+	173.02106	131.1
[M+H-H2O]+	117.05516	120.3
[M+HCOO]-	179.05610	141.6
[M+CH3COO]-	193.07175	163.2
[M+Na-2H]-	155.03257	130.2
[M]+	134.05735	120.5
[M]-	134.05845	120.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe