CID 61325

4077-47-8

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC1C(=O)C(=C(O1)C)OC

InChI

InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3

InChIKey

SIMKGHMLPVDSJE-UHFFFAOYSA-N

Compound name

4-methoxy-2,5-dimethylfuran-3-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 415
Patents: 142.06299 Da
Monoisotopic Mass: 1.0
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]+	143.07027	124.1
[M+Na]+	165.05221	134.4
[M-H]-	141.05571	129.4
[M+NH4]+	160.09681	147.0
[M+K]+	181.02615	135.2
[M+H-H2O]+	125.06025	120.1
[M+HCOO]-	187.06119	148.6
[M+CH3COO]-	201.07684	174.3
[M+Na-2H]-	163.03766	129.5
[M]+	142.06244	128.0
[M]-	142.06354	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe