CID 3293575

5-ethoxy-5h-furan-2-one

Structural Information

Molecular Formula
C6H8O3
SMILES
CCOC1C=CC(=O)O1
InChI
InChI=1S/C6H8O3/c1-2-8-6-4-3-5(7)9-6/h3-4,6H,2H2,1H3
InChIKey
NOZLVOMKFMVAKH-UHFFFAOYSA-N
Compound name
2-ethoxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

128.04735 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 121.1
[M+Na]+ 151.03657 129.9
[M-H]- 127.04007 125.7
[M+NH4]+ 146.08117 143.9
[M+K]+ 167.01051 131.0
[M+H-H2O]+ 111.04461 116.6
[M+HCOO]- 173.04555 145.9
[M+CH3COO]- 187.06120 168.9
[M+Na-2H]- 149.02202 128.2
[M]+ 128.04680 123.9
[M]- 128.04790 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe