CID 5367769

(6e)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-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]+ 233.153606 159.4
[M+Na]+ 255.135548 164.5
[M-H]- 231.139054 162.8
[M+NH4]+ 250.180153 177.6
[M+K]+ 271.109488 162.7
[M+H-H2O]+ 215.143590 153.4
[M+HCOO]- 277.144531 179.8
[M+CH3COO]- 291.160181 192.1
[M+Na-2H]- 253.120996 159.2
[M]+ 232.14578142 161.5
[M]- 232.14687858 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.