CID 110543

Maltol propionate

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

CCC(=O)OC1=C(OC=CC1=O)C

InChI

InChI=1S/C9H10O4/c1-3-8(11)13-9-6(2)12-5-4-7(9)10/h4-5H,3H2,1-2H3

InChIKey

NBKYPRRBTKRGLE-UHFFFAOYSA-N

Compound name

(2-methyl-4-oxopyran-3-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 241
Patents: 182.0579 Da
Monoisotopic Mass: 0.9
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]+	183.06518	134.6
[M+Na]+	205.04712	147.6
[M+NH4]+	200.09172	141.8
[M+K]+	221.02106	143.0
[M-H]-	181.05062	136.7
[M+Na-2H]-	203.03257	140.1
[M]+	182.05735	136.9
[M]-	182.05845	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe