CID 13542889

(1r)-1-(3,4-dimethoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

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

InChI

InChI=1S/C10H14O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-7,11H,1-3H3/t7-/m1/s1

InChIKey

RTWOAVKBRMACKZ-SSDOTTSWSA-N

Compound name

(1R)-1-(3,4-dimethoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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	137.6
[M+Na]+	205.08352	145.7
[M-H]-	181.08702	140.5
[M+NH4]+	200.12812	157.4
[M+K]+	221.05746	144.8
[M+H-H2O]+	165.09156	132.3
[M+HCOO]-	227.09250	160.1
[M+CH3COO]-	241.10815	180.9
[M+Na-2H]-	203.06897	142.3
[M]+	182.09375	140.6
[M]-	182.09485	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe