CID 93476233

866087-75-4

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C[C@@H](C1=CC(=CC(=C1)OC)OC)O

InChI

InChI=1S/C10H14O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-7,11H,1-3H3/t7-/m0/s1

InChIKey

PZBLFTYDFZODAW-ZETCQYMHSA-N

Compound name

(1S)-1-(3,5-dimethoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 182.0943 Da
Monoisotopic Mass: 1.4
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	138.0
[M+Na]+	205.08352	150.3
[M+NH4]+	200.12812	145.9
[M+K]+	221.05746	145.0
[M-H]-	181.08702	139.3
[M+Na-2H]-	203.06897	143.8
[M]+	182.09375	140.0
[M]-	182.09485	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe