CID 28896557

1-(furan-2-yl)pentane-1,3-dione

Structural Information

Molecular Formula
C9H10O3
SMILES
CCC(=O)CC(=O)C1=CC=CO1
InChI
InChI=1S/C9H10O3/c1-2-7(10)6-8(11)9-4-3-5-12-9/h3-5H,2,6H2,1H3
InChIKey
GLZJLELNCAOUIG-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)pentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 134.3
[M+Na]+ 189.05221 141.7
[M-H]- 165.05571 138.6
[M+NH4]+ 184.09681 155.1
[M+K]+ 205.02615 142.1
[M+H-H2O]+ 149.06025 129.1
[M+HCOO]- 211.06119 157.7
[M+CH3COO]- 225.07684 177.3
[M+Na-2H]- 187.03766 138.7
[M]+ 166.06244 137.1
[M]- 166.06354 137.1
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