CID 19309

Furaneol

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC1C(=O)C(=C(O1)C)O

InChI

InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3

InChIKey

INAXVXBDKKUCGI-UHFFFAOYSA-N

Compound name

4-hydroxy-2,5-dimethylfuran-3-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 82
References: 9066
Patents: 128.04735 Da
Monoisotopic Mass: 0.7
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	122.2
[M+Na]+	151.03657	133.4
[M+NH4]+	146.08117	130.1
[M+K]+	167.01051	131.3
[M-H]-	127.04007	123.8
[M+Na-2H]-	149.02202	125.8
[M]+	128.04680	124.0
[M]-	128.04790	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe