CID 77449

3,4,5-trimethoxybenzyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

COC1=CC(=CC(=C1OC)OC)CO

InChI

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

InChIKey

QPHLRCUCFDXGLY-UHFFFAOYSA-N

Compound name

(3,4,5-trimethoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 671
Patents: 198.0892 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]+	199.09648	139.7
[M+Na]+	221.07842	148.9
[M-H]-	197.08192	142.8
[M+NH4]+	216.12302	159.1
[M+K]+	237.05236	148.1
[M+H-H2O]+	181.08646	134.2
[M+HCOO]-	243.08740	163.4
[M+CH3COO]-	257.10305	183.4
[M+Na-2H]-	219.06387	144.9
[M]+	198.08865	145.1
[M]-	198.08975	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe