CID 6450595

2(3h)-furanone, 5-butyl-3-(phenylmethylene)-

Structural Information

Molecular Formula
C15H16O2
SMILES
CCCCC1=C/C(=C\C2=CC=CC=C2)/C(=O)O1
InChI
InChI=1S/C15H16O2/c1-2-3-9-14-11-13(15(16)17-14)10-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3/b13-10+
InChIKey
ZFAKPAVNUZKOHZ-JLHYYAGUSA-N
Compound name
(3E)-3-benzylidene-5-butylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11504 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 151.7
[M+Na]+ 251.10426 159.5
[M-H]- 227.10776 159.0
[M+NH4]+ 246.14886 170.5
[M+K]+ 267.07820 156.5
[M+H-H2O]+ 211.11230 145.4
[M+HCOO]- 273.11324 175.1
[M+CH3COO]- 287.12889 189.3
[M+Na-2H]- 249.08971 155.3
[M]+ 228.11449 153.3
[M]- 228.11559 153.3
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.