CID 6450595

Brn 4443235

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 152.8
[M+Na]+ 251.10426 165.9
[M+NH4]+ 246.14886 161.2
[M+K]+ 267.07820 160.0
[M-H]- 227.10776 157.7
[M+Na-2H]- 249.08971 159.4
[M]+ 228.11449 156.0
[M]- 228.11559 156.0
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.