CID 3022730

5-ethyl-3-hydroxy-4-methylfuran-2(3h)-one

Structural Information

Molecular Formula
C7H10O3
SMILES
CCC1=C(C(C(=O)O1)O)C
InChI
InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h6,8H,3H2,1-2H3
InChIKey
ZZWOFATXVNKRIR-UHFFFAOYSA-N
Compound name
5-ethyl-3-hydroxy-4-methyl-3H-furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

142.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 125.3
[M+Na]+ 165.052208 135.1
[M-H]- 141.055714 129.1
[M+NH4]+ 160.096813 147.4
[M+K]+ 181.026148 135.0
[M+H-H2O]+ 125.060250 121.5
[M+HCOO]- 187.061191 148.2
[M+CH3COO]- 201.076841 171.7
[M+Na-2H]- 163.037656 130.1
[M]+ 142.06244142 127.3
[M]- 142.06353858 127.3
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