CID 19776197

Ethyl 2-furanyl diketone

Structural Information

Molecular Formula
C8H8O3
SMILES
CCC(=O)C(=O)C1=CC=CO1
InChI
InChI=1S/C8H8O3/c1-2-6(9)8(10)7-4-3-5-11-7/h3-5H,2H2,1H3
InChIKey
IWMXBRWYPMCNQM-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)butane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

152.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 129.4
[M+Na]+ 175.03657 137.2
[M-H]- 151.04007 133.9
[M+NH4]+ 170.08117 150.8
[M+K]+ 191.01051 137.9
[M+H-H2O]+ 135.04461 124.4
[M+HCOO]- 197.04555 153.2
[M+CH3COO]- 211.06120 174.3
[M+Na-2H]- 173.02202 134.5
[M]+ 152.04680 131.9
[M]- 152.04790 131.9
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