CID 77091

3-ethyl-4-methyl-2,5-dihydrofuran-2,5-dione

Structural Information

Molecular Formula
C7H8O3
SMILES
CCC1=C(C(=O)OC1=O)C
InChI
InChI=1S/C7H8O3/c1-3-5-4(2)6(8)10-7(5)9/h3H2,1-2H3
InChIKey
ZVUUAOZFEUKPLC-UHFFFAOYSA-N
Compound name
3-ethyl-4-methylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

140.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 122.7
[M+Na]+ 163.036568 133.2
[M-H]- 139.040074 127.9
[M+NH4]+ 158.081173 145.5
[M+K]+ 179.010508 133.4
[M+H-H2O]+ 123.044610 118.8
[M+HCOO]- 185.045551 147.3
[M+CH3COO]- 199.061201 173.4
[M+Na-2H]- 161.022016 128.0
[M]+ 140.04680142 125.9
[M]- 140.04789858 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe