CID 6449401

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

Structural Information

Molecular Formula
C12H12O3
SMILES
CCCC1=C/C(=C\C2=CC=CO2)/C(=O)O1
InChI
InChI=1S/C12H12O3/c1-2-4-11-8-9(12(13)15-11)7-10-5-3-6-14-10/h3,5-8H,2,4H2,1H3/b9-7+
InChIKey
IVKCAFXSVULVAW-VQHVLOKHSA-N
Compound name
(3E)-3-(furan-2-ylmethylidene)-5-propylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 143.3
[M+Na]+ 227.06786 152.1
[M-H]- 203.07136 151.7
[M+NH4]+ 222.11246 163.4
[M+K]+ 243.04180 151.6
[M+H-H2O]+ 187.07590 138.7
[M+HCOO]- 249.07684 167.6
[M+CH3COO]- 263.09249 182.8
[M+Na-2H]- 225.05331 147.0
[M]+ 204.07809 146.6
[M]- 204.07919 146.6
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.