CID 120003

28664-37-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

156.07864 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe