CID 10741

530-56-3

Structural Information

Molecular Formula

C₉H₁₂O₄

SMILES

COC1=CC(=CC(=C1O)OC)CO

InChI

InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3

InChIKey

LUOAEJWSKPQLJD-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-2,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 610
Patents: 184.07356 Da
Monoisotopic Mass: 0.6
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]+	185.08084	136.7
[M+Na]+	207.06278	148.8
[M+NH4]+	202.10738	143.9
[M+K]+	223.03672	144.1
[M-H]-	183.06628	137.2
[M+Na-2H]-	205.04823	141.8
[M]+	184.07301	138.4
[M]-	184.07411	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe