CID 6449402

5-butyl-3-(furanylmethylene)-2(3h)-furanone

Structural Information

Molecular Formula
C13H14O3
SMILES
CCCCC1=C/C(=C\C2=CC=CO2)/C(=O)O1
InChI
InChI=1S/C13H14O3/c1-2-3-5-12-9-10(13(14)16-12)8-11-6-4-7-15-11/h4,6-9H,2-3,5H2,1H3/b10-8+
InChIKey
LSWMNSDAKSDOOU-CSKARUKUSA-N
Compound name
(3E)-5-butyl-3-(furan-2-ylmethylidene)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 148.2
[M+Na]+ 241.08352 159.6
[M+NH4]+ 236.12812 155.9
[M+K]+ 257.05746 157.4
[M-H]- 217.08702 153.0
[M+Na-2H]- 239.06897 152.5
[M]+ 218.09375 151.1
[M]- 218.09485 151.1
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

No patent data available for this compound.