CID 151143

5-hydroxy-3-vinyl-2(5h)-furanone

Structural Information

Molecular Formula

C₆H₆O₃

SMILES

C=CC1=CC(OC1=O)O

InChI

InChI=1S/C6H6O3/c1-2-4-3-5(7)9-6(4)8/h2-3,5,7H,1H2

InChIKey

RQZSMDBBVOOYQY-UHFFFAOYSA-N

Compound name

4-ethenyl-2-hydroxy-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 126.03169 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]+	127.03897	120.0
[M+Na]+	149.02091	129.6
[M-H]-	125.02441	123.6
[M+NH4]+	144.06551	142.4
[M+K]+	164.99485	129.1
[M+H-H2O]+	109.02895	116.1
[M+HCOO]-	171.02989	143.5
[M+CH3COO]-	185.04554	166.6
[M+Na-2H]-	147.00636	126.0
[M]+	126.03114	120.5
[M]-	126.03224	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe