CID 12730529

4-hydroxy-5-methyl-2-propyl-3(2h)-furanone

Structural Information

Molecular Formula
C8H12O3
SMILES
CCCC1C(=O)C(=C(O1)C)O
InChI
InChI=1S/C8H12O3/c1-3-4-6-8(10)7(9)5(2)11-6/h6,9H,3-4H2,1-2H3
InChIKey
DBYQGTLFSQKPCA-UHFFFAOYSA-N
Compound name
4-hydroxy-5-methyl-2-propylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

156.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 131.2
[M+Na]+ 179.06786 142.0
[M+NH4]+ 174.11246 138.8
[M+K]+ 195.04180 139.4
[M-H]- 155.07136 132.7
[M+Na-2H]- 177.05331 134.2
[M]+ 156.07809 133.0
[M]- 156.07919 133.0
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

patents stripe