CID 81911

3,4-dimethoxyphenethyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC1=C(C=C(C=C1)CCO)OC

InChI

InChI=1S/C10H14O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7,11H,5-6H2,1-2H3

InChIKey

SRQAJMUHZROVHW-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 858
Patents: 182.0943 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]+	183.10158	137.5
[M+Na]+	205.08352	145.8
[M-H]-	181.08702	140.2
[M+NH4]+	200.12812	157.3
[M+K]+	221.05746	144.4
[M+H-H2O]+	165.09156	132.0
[M+HCOO]-	227.09250	160.9
[M+CH3COO]-	241.10815	180.0
[M+Na-2H]-	203.06897	143.3
[M]+	182.09375	141.0
[M]-	182.09485	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe