CID 11152

1-(4-hydroxy-3-methoxyphenyl)-4-decen-3-one

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
InChIKey
OQWKEEOHDMUXEO-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

356
References

6477
Patents

276.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 167.5
[M+Na]+ 299.16177 173.2
[M-H]- 275.16527 169.1
[M+NH4]+ 294.20637 183.3
[M+K]+ 315.13571 169.4
[M+H-H2O]+ 259.16981 160.9
[M+HCOO]- 321.17075 188.0
[M+CH3COO]- 335.18640 199.6
[M+Na-2H]- 297.14722 168.4
[M]+ 276.17200 171.5
[M]- 276.17310 171.5
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

patents stripe