CID 54686806

18742-94-4

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CCCC1=CC(=CC(=O)O1)O

InChI

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

InChIKey

ARLWUMFTZMAEDP-UHFFFAOYSA-N

Compound name

4-hydroxy-6-propylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 34
Patents: 154.06299 Da
Monoisotopic Mass: 1.3
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]+	155.07027	128.2
[M+Na]+	177.05221	141.6
[M+NH4]+	172.09681	136.2
[M+K]+	193.02615	136.3
[M-H]-	153.05571	130.8
[M+Na-2H]-	175.03766	134.3
[M]+	154.06244	130.8
[M]-	154.06354	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe