CID 10221179

83088-28-2

Structural Information

Molecular Formula

C₁₆H₁₈O₄

SMILES

COC1=CC(=CC(=C1)O)CCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-15(18)16(9-11)20-2/h5-10,17-18H,3-4H2,1-2H3

InChIKey

BMSPEISBKGSBTR-UHFFFAOYSA-N

Compound name

4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 148
Patents: 274.1205 Da
Monoisotopic Mass: 2.7
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]+	275.127776	161.7
[M+Na]+	297.109718	170.0
[M-H]-	273.113224	166.5
[M+NH4]+	292.154323	177.1
[M+K]+	313.083658	166.4
[M+H-H2O]+	257.117760	154.5
[M+HCOO]-	319.118701	183.2
[M+CH3COO]-	333.134351	195.9
[M+Na-2H]-	295.095166	165.0
[M]+	274.11995142	165.2
[M]-	274.12104858	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe