CID 16997

5-ethyl-2(5h)-furanone

Structural Information

Molecular Formula
C6H8O2
SMILES
CCC1C=CC(=O)O1
InChI
InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3
InChIKey
GOUILHYTHSOMQJ-UHFFFAOYSA-N
Compound name
2-ethyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

322
Patents

112.05243 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 118.2
[M+Na]+ 135.04165 127.1
[M-H]- 111.04515 122.8
[M+NH4]+ 130.08625 141.7
[M+K]+ 151.01559 127.7
[M+H-H2O]+ 95.049690 113.9
[M+HCOO]- 157.05063 142.8
[M+CH3COO]- 171.06628 166.9
[M+Na-2H]- 133.02710 125.3
[M]+ 112.05188 119.5
[M]- 112.05298 119.5
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