CID 256604

612-69-1

Structural Information

Molecular Formula

C₁₆H₁₈O₆

SMILES

COC1=CC(=CC(=C1O)OC)C2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C16H18O6/c1-19-11-5-9(6-12(20-2)15(11)17)10-7-13(21-3)16(18)14(8-10)22-4/h5-8,17-18H,1-4H3

InChIKey

NRTOUGPMXLJETQ-UHFFFAOYSA-N

Compound name

4-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 35
Patents: 306.11035 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]+	307.11763	166.6
[M+Na]+	329.09957	176.2
[M-H]-	305.10307	172.1
[M+NH4]+	324.14417	181.0
[M+K]+	345.07351	174.4
[M+H-H2O]+	289.10761	159.2
[M+HCOO]-	351.10855	188.4
[M+CH3COO]-	365.12420	203.0
[M+Na-2H]-	327.08502	168.7
[M]+	306.10980	173.8
[M]-	306.11090	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe