CID 21059

Ethyl maltol

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

CCC1=C(C(=O)C=CO1)O

InChI

InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3

InChIKey

YIKYNHJUKRTCJL-UHFFFAOYSA-N

Compound name

2-ethyl-3-hydroxypyran-4-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 34
References: 23373
Patents: 140.04735 Da
Monoisotopic Mass: 0.8
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]+	141.054626	122.5
[M+Na]+	163.036568	132.6
[M-H]-	139.040074	126.5
[M+NH4]+	158.081173	142.8
[M+K]+	179.010508	132.2
[M+H-H2O]+	123.044610	117.7
[M+HCOO]-	185.045551	146.3
[M+CH3COO]-	199.061201	170.1
[M+Na-2H]-	161.022016	131.1
[M]+	140.04680142	124.9
[M]-	140.04789858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe