CID 21586021

2-(4-methoxyphenyl)-3-methylbutan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC(C)C(CO)C1=CC=C(C=C1)OC

InChI

InChI=1S/C12H18O2/c1-9(2)12(8-13)10-4-6-11(14-3)7-5-10/h4-7,9,12-13H,8H2,1-3H3

InChIKey

FGSAKKPRJLEBBG-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-3-methylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.13068 Da
Monoisotopic Mass: 2.6
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]+	195.13796	144.5
[M+Na]+	217.11990	156.1
[M+NH4]+	212.16450	152.5
[M+K]+	233.09384	150.5
[M-H]-	193.12340	145.9
[M+Na-2H]-	215.10535	150.1
[M]+	194.13013	146.5
[M]-	194.13123	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe