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]+ 197.11722 143.9
[M+Na]+ 219.09916 150.9
[M-H]- 195.10266 147.8
[M+NH4]+ 214.14376 164.0
[M+K]+ 235.07310 150.1
[M+H-H2O]+ 179.10720 139.1
[M+HCOO]- 241.10814 164.9
[M+CH3COO]- 255.12379 184.1
[M+Na-2H]- 217.08461 145.4
[M]+ 196.10939 145.3
[M]- 196.11049 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.