CID 78089

3-hydroxy-4-methoxybenzyl alcohol

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

COC1=C(C=C(C=C1)CO)O

InChI

InChI=1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3

InChIKey

WHKRHBLAJFYZKF-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1088
Patents: 154.06299 Da
Monoisotopic Mass: 0.7
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]+	155.07027	129.3
[M+Na]+	177.05221	141.8
[M+NH4]+	172.09681	137.3
[M+K]+	193.02615	136.5
[M-H]-	153.05571	130.3
[M+Na-2H]-	175.03766	135.4
[M]+	154.06244	131.3
[M]-	154.06354	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe