CID 439692

D-xylono-1,5-lactone

Structural Information

Molecular Formula

C₅H₈O₅

SMILES

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

InChI

InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1

InChIKey

XXBSUZSONOQQGK-FLRLBIABSA-N

Compound name

(3R,4S,5R)-3,4,5-trihydroxyoxan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 384
Patents: 148.03717 Da
Monoisotopic Mass: -2.0
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]+	149.04445	126.0
[M+Na]+	171.02639	135.5
[M+NH4]+	166.07099	132.3
[M+K]+	187.00033	133.4
[M-H]-	147.02989	126.0
[M+Na-2H]-	169.01184	127.7
[M]+	148.03662	126.9
[M]-	148.03772	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe