CID 281853

2(3h)-furanone, 5-ethyl-

Structural Information

Molecular Formula
C6H8O2
SMILES
CCC1=CCC(=O)O1
InChI
InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3H,2,4H2,1H3
InChIKey
WWAGWEFPCZVKGN-UHFFFAOYSA-N
Compound name
5-ethyl-3H-furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

112.05243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.059706 118.2
[M+Na]+ 135.041648 127.1
[M-H]- 111.045154 122.8
[M+NH4]+ 130.086253 141.7
[M+K]+ 151.015588 127.7
[M+H-H2O]+ 95.049690 113.9
[M+HCOO]- 157.050631 142.8
[M+CH3COO]- 171.066281 166.9
[M+Na-2H]- 133.027096 125.3
[M]+ 112.05188142 119.5
[M]- 112.05297858 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