CID 519466

17678-19-2

Structural Information

Molecular Formula

C₆H₆O₃

SMILES

C1=COC(=C1)C(=O)CO

InChI

InChI=1S/C6H6O3/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2

InChIKey

RSZZMVPSHLKFQY-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)-2-hydroxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5388
Patents: 126.03169 Da
Monoisotopic Mass: -0.1
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]+	127.03897	122.4
[M+Na]+	149.02091	133.0
[M+NH4]+	144.06551	130.2
[M+K]+	164.99485	130.8
[M-H]-	125.02441	123.7
[M+Na-2H]-	147.00636	127.1
[M]+	126.03114	124.0
[M]-	126.03224	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe