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
5
Annotation Hits

0
References

516
Patents

156.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 129.0
[M+Na]+ 179.06786 138.8
[M-H]- 155.07136 134.0
[M+NH4]+ 174.11246 151.3
[M+K]+ 195.04180 139.4
[M+H-H2O]+ 139.07590 124.8
[M+HCOO]- 201.07684 153.1
[M+CH3COO]- 215.09249 177.4
[M+Na-2H]- 177.05331 133.8
[M]+ 156.07809 133.2
[M]- 156.07919 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe