CID 80175

3-pentanone, 1,5-di-2-furanyl-

Structural Information

Molecular Formula
C13H14O3
SMILES
C1=COC(=C1)CCC(=O)CCC2=CC=CO2
InChI
InChI=1S/C13H14O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-4,9-10H,5-8H2
InChIKey
PUKWJEYNRZPXEX-UHFFFAOYSA-N
Compound name
1,5-bis(furan-2-yl)pentan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

5
Patents

218.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 147.1
[M+Na]+ 241.08352 159.1
[M+NH4]+ 236.12812 155.0
[M+K]+ 257.05746 157.0
[M-H]- 217.08702 152.1
[M+Na-2H]- 239.06897 153.3
[M]+ 218.09375 150.2
[M]- 218.09485 150.2
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