CID 39236070

(1r)-1-(4-methoxy-3-methylphenyl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=C(C=CC(=C1)[C@@H](C)O)OC

InChI

InChI=1S/C10H14O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6,8,11H,1-3H3/t8-/m1/s1

InChIKey

NATDHZQROBIOSH-MRVPVSSYSA-N

Compound name

(1R)-1-(4-methoxy-3-methylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 1.8
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]+	167.106656	134.4
[M+Na]+	189.088598	142.6
[M-H]-	165.092104	137.3
[M+NH4]+	184.133203	155.0
[M+K]+	205.062538	141.2
[M+H-H2O]+	149.096640	129.4
[M+HCOO]-	211.097581	156.7
[M+CH3COO]-	225.113231	178.9
[M+Na-2H]-	187.074046	139.1
[M]+	166.09883142	135.9
[M]-	166.09992858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.