CID 66587192

1352713-01-9

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

CC1=C(OC(=C1)C(=O)C)C(=O)OC

InChI

InChI=1S/C9H10O4/c1-5-4-7(6(2)10)13-8(5)9(11)12-3/h4H,1-3H3

InChIKey

MGKSKVOYVQQZHA-UHFFFAOYSA-N

Compound name

methyl 5-acetyl-3-methylfuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 182.0579 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]+	183.06518	135.0
[M+Na]+	205.04712	144.2
[M-H]-	181.05062	140.1
[M+NH4]+	200.09172	155.8
[M+K]+	221.02106	145.2
[M+H-H2O]+	165.05516	130.3
[M+HCOO]-	227.05610	158.7
[M+CH3COO]-	241.07175	181.1
[M+Na-2H]-	203.03257	138.4
[M]+	182.05735	140.1
[M]-	182.05845	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe