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 159.4
[M+Na]+ 255.13555 164.5
[M-H]- 231.13905 162.8
[M+NH4]+ 250.18015 177.6
[M+K]+ 271.10949 162.7
[M+H-H2O]+ 215.14359 153.4
[M+HCOO]- 277.14453 179.8
[M+CH3COO]- 291.16018 192.1
[M+Na-2H]- 253.12100 159.2
[M]+ 232.14578 161.5
[M]- 232.14688 161.5
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.