CID 86573717

4-(3-oxobutyl)-3-propyl-tetrahydrofuran-2-one

Structural Information

Molecular Formula
C11H18O3
SMILES
CCCC1C(COC1=O)CCC(=O)C
InChI
InChI=1S/C11H18O3/c1-3-4-10-9(6-5-8(2)12)7-14-11(10)13/h9-10H,3-7H2,1-2H3
InChIKey
IKGPHIZMYHTSFV-UHFFFAOYSA-N
Compound name
4-(3-oxobutyl)-3-propyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 145.2
[M+Na]+ 221.114818 151.8
[M-H]- 197.118324 149.0
[M+NH4]+ 216.159423 165.2
[M+K]+ 237.088758 151.6
[M+H-H2O]+ 181.122860 140.3
[M+HCOO]- 243.123801 166.0
[M+CH3COO]- 257.139451 185.6
[M+Na-2H]- 219.100266 146.7
[M]+ 198.12505142 147.3
[M]- 198.12614858 147.3
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.