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 121.4
[M+Na]+ 151.03657 130.6
[M-H]- 127.04007 124.9
[M+NH4]+ 146.08117 143.7
[M+K]+ 167.01051 130.8
[M+H-H2O]+ 111.04461 117.4
[M+HCOO]- 173.04555 144.6
[M+CH3COO]- 187.06120 167.4
[M+Na-2H]- 149.02202 127.3
[M]+ 128.04680 122.6
[M]- 128.04790 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