CID 3017596

65330-49-6

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

CCOC1=C(OC(C1=O)C)C

InChI

InChI=1S/C8H12O3/c1-4-10-8-6(3)11-5(2)7(8)9/h5H,4H2,1-3H3

InChIKey

AILFSZXBRNLVHY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 635
Patents: 156.07864 Da
Monoisotopic Mass: 1.4
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]+	157.085916	129.0
[M+Na]+	179.067858	138.8
[M-H]-	155.071364	134.0
[M+NH4]+	174.112463	151.3
[M+K]+	195.041798	139.4
[M+H-H2O]+	139.075900	124.8
[M+HCOO]-	201.076841	153.1
[M+CH3COO]-	215.092491	177.4
[M+Na-2H]-	177.053306	133.8
[M]+	156.07809142	133.2
[M]-	156.07918858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe