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]+ 173.080836 130.4
[M+Na]+ 195.062778 140.6
[M-H]- 171.066284 134.4
[M+NH4]+ 190.107383 153.3
[M+K]+ 211.036718 140.9
[M+H-H2O]+ 155.070820 127.3
[M+HCOO]- 217.071761 153.3
[M+CH3COO]- 231.087411 176.4
[M+Na-2H]- 193.048226 136.3
[M]+ 172.07301142 134.6
[M]- 172.07410858 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.