CID 48898

67031-41-8

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CC(C)C(C1=CC(=C(C=C1)OC)OC)O

InChI

InChI=1S/C12H18O3/c1-8(2)12(13)9-5-6-10(14-3)11(7-9)15-4/h5-8,12-13H,1-4H3

InChIKey

AHNPSXRKYWCRBA-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 55
Patents: 210.1256 Da
Monoisotopic Mass: 2.0
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]+	211.13288	147.1
[M+Na]+	233.11482	154.0
[M-H]-	209.11832	149.6
[M+NH4]+	228.15942	165.6
[M+K]+	249.08876	153.2
[M+H-H2O]+	193.12286	141.4
[M+HCOO]-	255.12380	167.8
[M+CH3COO]-	269.13945	187.9
[M+Na-2H]-	231.10027	149.3
[M]+	210.12505	150.1
[M]-	210.12615	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe