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]+ 229.122316 151.7
[M+Na]+ 251.104258 159.5
[M-H]- 227.107764 159.0
[M+NH4]+ 246.148863 170.5
[M+K]+ 267.078198 156.5
[M+H-H2O]+ 211.112300 145.4
[M+HCOO]- 273.113241 175.1
[M+CH3COO]- 287.128891 189.3
[M+Na-2H]- 249.089706 155.3
[M]+ 228.11449142 153.3
[M]- 228.11558858 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.