CID 602515

2,4,6-trimethoxybenzyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

COC1=CC(=C(C(=C1)OC)CO)OC

InChI

InChI=1S/C10H14O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5,11H,6H2,1-3H3

InChIKey

CFXXBVNHYJQNKS-UHFFFAOYSA-N

Compound name

(2,4,6-trimethoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 134
Patents: 198.0892 Da
Monoisotopic Mass: 0.9
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]+	199.096476	139.7
[M+Na]+	221.078418	148.9
[M-H]-	197.081924	142.8
[M+NH4]+	216.123023	159.1
[M+K]+	237.052358	148.1
[M+H-H2O]+	181.086460	134.2
[M+HCOO]-	243.087401	163.4
[M+CH3COO]-	257.103051	183.4
[M+Na-2H]-	219.063866	144.9
[M]+	198.08865142	145.1
[M]-	198.08974858	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe