CID 550320

6-ethyl-3,4-dihydro-2h-pyran-2,4-dione

Structural Information

Molecular Formula
C7H8O3
SMILES
CCC1=CC(=O)CC(=O)O1
InChI
InChI=1S/C7H8O3/c1-2-6-3-5(8)4-7(9)10-6/h3H,2,4H2,1H3
InChIKey
RUVLELZZCSEORC-UHFFFAOYSA-N
Compound name
6-ethylpyran-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

140.04735 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 123.2
[M+Na]+ 163.036568 131.9
[M-H]- 139.040074 127.9
[M+NH4]+ 158.081173 143.9
[M+K]+ 179.010508 132.3
[M+H-H2O]+ 123.044610 118.4
[M+HCOO]- 185.045551 145.8
[M+CH3COO]- 199.061201 172.5
[M+Na-2H]- 161.022016 130.4
[M]+ 140.04680142 124.0
[M]- 140.04789858 124.0
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