CID 12374454

L-erythro-5-(1-hydroxyethyl)-2(5h)-furanone

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC(C1C=CC(=O)O1)O

InChI

InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h2-5,7H,1H3

InChIKey

BGMOXLYBBTWIMD-UHFFFAOYSA-N

Compound name

2-(1-hydroxyethyl)-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 128.04735 Da
Monoisotopic Mass: 0.0
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]+	129.05463	123.5
[M+Na]+	151.03657	133.6
[M+NH4]+	146.08117	131.3
[M+K]+	167.01051	131.8
[M-H]-	127.04007	124.7
[M+Na-2H]-	149.02202	127.1
[M]+	128.04680	125.0
[M]-	128.04790	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe