CID 25244172

Hmpdf

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC/C=C/1\C(=O)C(=C(O1)C)O

InChI

InChI=1S/C8H10O3/c1-3-4-6-8(10)7(9)5(2)11-6/h4,9H,3H2,1-2H3/b6-4+

InChIKey

JPLUXSIYIQGVTD-GQCTYLIASA-N

Compound name

(2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 154.06299 Da
Monoisotopic Mass: 1.6
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]+	155.070266	128.9
[M+Na]+	177.052208	138.6
[M-H]-	153.055714	132.6
[M+NH4]+	172.096813	150.5
[M+K]+	193.026148	137.6
[M+H-H2O]+	137.060250	124.9
[M+HCOO]-	199.061191	151.7
[M+CH3COO]-	213.076841	173.2
[M+Na-2H]-	175.037656	133.1
[M]+	154.06244142	130.5
[M]-	154.06353858	130.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.