CID 5367769

(e)-9-(3-furanyl)-2,6-dimethyl-2,6-nonadien-4-one

Structural Information

Molecular Formula
C15H20O2
SMILES
CC(=CC(=O)C/C(=C/CCC1=COC=C1)/C)C
InChI
InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+
InChIKey
UFGQHNWFUWHNSS-WLRTZDKTSA-N
Compound name
(6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 158.3
[M+Na]+ 255.13555 167.6
[M+NH4]+ 250.18015 164.8
[M+K]+ 271.10949 163.8
[M-H]- 231.13905 159.5
[M+Na-2H]- 253.12100 160.7
[M]+ 232.14578 159.7
[M]- 232.14688 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.