CID 161815

34371-14-7

Structural Information

Molecular Formula

C₅H₈O₄

SMILES

C1[C@@H]([C@H](OC1=O)CO)O

InChI

InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/s1

InChIKey

YIXDEYPPAGPYDP-IUYQGCFVSA-N

Compound name

(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 63
References: 179
Patents: 132.04225 Da
Monoisotopic Mass: -0.9
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]+	133.04953	122.4
[M+Na]+	155.03147	130.5
[M-H]-	131.03497	124.3
[M+NH4]+	150.07607	143.6
[M+K]+	171.00541	130.6
[M+H-H2O]+	115.03951	118.5
[M+HCOO]-	177.04045	143.2
[M+CH3COO]-	191.05610	164.4
[M+Na-2H]-	153.01692	127.4
[M]+	132.04170	121.4
[M]-	132.04280	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe