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

28
Patents

140.04735 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 123.2
[M+Na]+ 163.03657 131.9
[M-H]- 139.04007 127.9
[M+NH4]+ 158.08117 143.9
[M+K]+ 179.01051 132.3
[M+H-H2O]+ 123.04461 118.4
[M+HCOO]- 185.04555 145.8
[M+CH3COO]- 199.06120 172.5
[M+Na-2H]- 161.02202 130.4
[M]+ 140.04680 124.0
[M]- 140.04790 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