CID 131750873

(z)-1-(4-hydroxy-3-methoxyphenyl)dec-1-ene-3,5-dione

Structural Information

Molecular Formula
C17H22O4
SMILES
CCCCCC(=O)CC(=O)/C=C\C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-11,20H,3-6,12H2,1-2H3/b9-7-
InChIKey
JUKHKHMSQCQHEN-CLFYSBASSA-N
Compound name
(Z)-1-(4-hydroxy-3-methoxyphenyl)dec-1-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

290.1518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15908 169.9
[M+Na]+ 313.14102 180.0
[M+NH4]+ 308.18562 175.0
[M+K]+ 329.11496 174.2
[M-H]- 289.14452 169.3
[M+Na-2H]- 311.12647 172.6
[M]+ 290.15125 170.8
[M]- 290.15235 170.8
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

patents stripe