CID 86573696

4-(3-oxobutyl)-3-[(e)-prop-1-enyl]tetrahydrofuran-2-one

Structural Information

Molecular Formula
C11H16O3
SMILES
C/C=C/C1C(COC1=O)CCC(=O)C
InChI
InChI=1S/C11H16O3/c1-3-4-10-9(6-5-8(2)12)7-14-11(10)13/h3-4,9-10H,5-7H2,1-2H3/b4-3+
InChIKey
FBBORDKUJLUZOI-ONEGZZNKSA-N
Compound name
4-(3-oxobutyl)-3-[(E)-prop-1-enyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 143.9
[M+Na]+ 219.099158 150.9
[M-H]- 195.102664 147.8
[M+NH4]+ 214.143763 164.0
[M+K]+ 235.073098 150.1
[M+H-H2O]+ 179.107200 139.1
[M+HCOO]- 241.108141 164.9
[M+CH3COO]- 255.123791 184.1
[M+Na-2H]- 217.084606 145.4
[M]+ 196.10939142 145.3
[M]- 196.11048858 145.3
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

No patent data available for this compound.