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
2
Annotation Hits

0
References

10
Patents

156.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 130.1
[M+Na]+ 179.067858 139.4
[M-H]- 155.071364 133.7
[M+NH4]+ 174.112463 151.7
[M+K]+ 195.041798 139.1
[M+H-H2O]+ 139.075900 126.0
[M+HCOO]- 201.076841 152.7
[M+CH3COO]- 215.092491 174.7
[M+Na-2H]- 177.053306 134.3
[M]+ 156.07809142 132.4
[M]- 156.07918858 132.4
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