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]+ 129.054626 121.4
[M+Na]+ 151.036568 130.6
[M-H]- 127.040074 124.9
[M+NH4]+ 146.081173 143.7
[M+K]+ 167.010508 130.8
[M+H-H2O]+ 111.044610 117.4
[M+HCOO]- 173.045551 144.6
[M+CH3COO]- 187.061201 167.4
[M+Na-2H]- 149.022016 127.3
[M]+ 128.04680142 122.6
[M]- 128.04789858 122.6
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