CID 112489

62409-40-9

Structural Information

Molecular Formula

C₁₀H₁₂O₅

SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)O)C

InChI

InChI=1S/C10H12O5/c1-4-14-9(12)8-6(3)15-10(13)7(8)5(2)11/h13H,4H2,1-3H3

InChIKey

RVUOKTIIIMUCSH-UHFFFAOYSA-N

Compound name

ethyl 4-acetyl-5-hydroxy-2-methylfuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 212.06847 Da
Monoisotopic Mass: 1.8
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]+	213.07575	142.4
[M+Na]+	235.05769	151.5
[M-H]-	211.06119	146.3
[M+NH4]+	230.10229	161.5
[M+K]+	251.03163	151.9
[M+H-H2O]+	195.06573	137.8
[M+HCOO]-	257.06667	164.4
[M+CH3COO]-	271.08232	185.1
[M+Na-2H]-	233.04314	144.2
[M]+	212.06792	147.8
[M]-	212.06902	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe