CID 97756

2(3h)-furanone, 4-acetyldihydro-

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC(=O)C1CC(=O)OC1

InChI

InChI=1S/C6H8O3/c1-4(7)5-2-6(8)9-3-5/h5H,2-3H2,1H3

InChIKey

MJHVRJCMYGXHKK-UHFFFAOYSA-N

Compound name

4-acetyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 47
Patents: 128.04735 Da
Monoisotopic Mass: -0.5
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	122.4
[M+Na]+	151.03657	130.1
[M-H]-	127.04007	126.7
[M+NH4]+	146.08117	144.9
[M+K]+	167.01051	131.3
[M+H-H2O]+	111.04461	118.1
[M+HCOO]-	173.04555	144.9
[M+CH3COO]-	187.06120	169.3
[M+Na-2H]-	149.02202	127.2
[M]+	128.04680	122.3
[M]-	128.04790	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe