CID 69618634

Schembl5953683

Structural Information

Molecular Formula

C₁₆H₂₄O₃

SMILES

CCCCCCCCCC(=O)C1=C(C=CC=C1O)O

InChI

InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-10-13(17)16-14(18)11-9-12-15(16)19/h9,11-12,18-19H,2-8,10H2,1H3

InChIKey

HVIXPHVEZYJOGW-UHFFFAOYSA-N

Compound name

1-(2,6-dihydroxyphenyl)decan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 264.17255 Da
Monoisotopic Mass: 5.5
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]+	265.179826	164.8
[M+Na]+	287.161768	170.1
[M-H]-	263.165274	165.0
[M+NH4]+	282.206373	180.3
[M+K]+	303.135708	166.2
[M+H-H2O]+	247.169810	158.4
[M+HCOO]-	309.170751	183.8
[M+CH3COO]-	323.186401	195.6
[M+Na-2H]-	285.147216	165.6
[M]+	264.17200142	167.2
[M]-	264.17309858	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe