CID 10584643

3,4,5-trimethoxyphenethyl alcohol

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

COC1=CC(=CC(=C1OC)OC)CCO

InChI

InChI=1S/C11H16O4/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7,12H,4-5H2,1-3H3

InChIKey

CMHJWVUNNCFNOH-UHFFFAOYSA-N

Compound name

2-(3,4,5-trimethoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 212.10486 Da
Monoisotopic Mass: 1.0
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]+	213.11214	144.4
[M+Na]+	235.09408	153.1
[M-H]-	211.09758	147.3
[M+NH4]+	230.13868	163.2
[M+K]+	251.06802	152.1
[M+H-H2O]+	195.10212	138.7
[M+HCOO]-	257.10306	167.7
[M+CH3COO]-	271.11871	186.4
[M+Na-2H]-	233.07953	149.1
[M]+	212.10431	150.2
[M]-	212.10541	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe