CID 3084764

3-acetyl-5-butyldihydro-2(3h)-furanone

Structural Information

Molecular Formula
C10H16O3
SMILES
CCCC[C@H]1C[C@@H](C(=O)O1)C(=O)C
InChI
InChI=1S/C10H16O3/c1-3-4-5-8-6-9(7(2)11)10(12)13-8/h8-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKey
NEBMUHXPHLFPGQ-DTWKUNHWSA-N
Compound name
(3R,5S)-3-acetyl-5-butyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

184.10994 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.117216 140.5
[M+Na]+ 207.099158 147.5
[M-H]- 183.102664 144.5
[M+NH4]+ 202.143763 161.0
[M+K]+ 223.073098 147.5
[M+H-H2O]+ 167.107200 135.7
[M+HCOO]- 229.108141 161.6
[M+CH3COO]- 243.123791 182.6
[M+Na-2H]- 205.084606 142.5
[M]+ 184.10939142 142.2
[M]- 184.11048858 142.2
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

patents stripe