CID 165346519

5-ethyl-3-hydroxy-5-methoxy-4-methyl-2(5h)-furanone

Structural Information

Molecular Formula
C8H12O4
SMILES
CCC1(C(=C(C(=O)O1)O)C)OC
InChI
InChI=1S/C8H12O4/c1-4-8(11-3)5(2)6(9)7(10)12-8/h9H,4H2,1-3H3
InChIKey
SNVYMEBTFDYXCN-UHFFFAOYSA-N
Compound name
5-ethyl-3-hydroxy-5-methoxy-4-methylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 130.4
[M+Na]+ 195.06278 140.6
[M-H]- 171.06628 134.4
[M+NH4]+ 190.10738 153.3
[M+K]+ 211.03672 140.9
[M+H-H2O]+ 155.07082 127.3
[M+HCOO]- 217.07176 153.3
[M+CH3COO]- 231.08741 176.4
[M+Na-2H]- 193.04823 136.3
[M]+ 172.07301 134.6
[M]- 172.07411 134.6
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.