CID 12864798

4-ethyl-5-hydroxy-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C6H8O3
SMILES
CCC1=CC(=O)OC1O
InChI
InChI=1S/C6H8O3/c1-2-4-3-5(7)9-6(4)8/h3,6,8H,2H2,1H3
InChIKey
CABIZTHYZVUARV-UHFFFAOYSA-N
Compound name
3-ethyl-2-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.04735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 122.7
[M+Na]+ 151.03657 133.5
[M+NH4]+ 146.08117 130.6
[M+K]+ 167.01051 131.2
[M-H]- 127.04007 124.2
[M+Na-2H]- 149.02202 126.4
[M]+ 128.04680 124.4
[M]- 128.04790 124.4
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