CID 3085761

4-butyl-4-ethyldihydro-2(3h)-furanone

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCC[C@@]1(CC(=O)OC1)CC
InChI
InChI=1S/C10H18O2/c1-3-5-6-10(4-2)7-9(11)12-8-10/h3-8H2,1-2H3/t10-/m1/s1
InChIKey
XNKPSAQZOXYRRQ-SNVBAGLBSA-N
Compound name
(4R)-4-butyl-4-ethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 137.4
[M+Na]+ 193.11990 144.4
[M-H]- 169.12340 141.3
[M+NH4]+ 188.16450 160.5
[M+K]+ 209.09384 144.4
[M+H-H2O]+ 153.12794 133.3
[M+HCOO]- 215.12888 159.2
[M+CH3COO]- 229.14453 179.0
[M+Na-2H]- 191.10535 142.6
[M]+ 170.13013 139.0
[M]- 170.13123 139.0
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.