CID 3360022

1-(3,4-dihydroxyphenyl)-1-decanone

Structural Information

Molecular Formula

C₁₆H₂₄O₃

SMILES

CCCCCCCCCC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-9-14(17)13-10-11-15(18)16(19)12-13/h10-12,18-19H,2-9H2,1H3

InChIKey

MAAOXUGFTUYHFV-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)decan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.17255 Da
Monoisotopic Mass: 5.0
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]+	265.17983	164.8
[M+Na]+	287.16177	175.3
[M+NH4]+	282.20637	171.1
[M+K]+	303.13571	168.9
[M-H]-	263.16527	165.0
[M+Na-2H]-	285.14722	168.2
[M]+	264.17200	166.2
[M]-	264.17310	166.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.