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]+ 199.13288 145.2
[M+Na]+ 221.11482 151.8
[M-H]- 197.11832 149.0
[M+NH4]+ 216.15942 165.2
[M+K]+ 237.08876 151.6
[M+H-H2O]+ 181.12286 140.3
[M+HCOO]- 243.12380 166.0
[M+CH3COO]- 257.13945 185.6
[M+Na-2H]- 219.10027 146.7
[M]+ 198.12505 147.3
[M]- 198.12615 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.