CID 11152

Dtxsid10873727

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

5
Annotation Hits: 357
References: 5730
Patents: 276.17255 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.179826	167.5
[M+Na]+	299.161768	173.2
[M-H]-	275.165274	169.1
[M+NH4]+	294.206373	183.3
[M+K]+	315.135708	169.4
[M+H-H2O]+	259.169810	160.9
[M+HCOO]-	321.170751	188.0
[M+CH3COO]-	335.186401	199.6
[M+Na-2H]-	297.147216	168.4
[M]+	276.17200142	171.5
[M]-	276.17309858	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe