CID 22548

6168-39-4

Structural Information

Molecular Formula

C₁₃H₂₀O₃

SMILES

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

InChI

InChI=1S/C13H20O3/c1-9(2)13(3,14)11-7-6-10(15-4)8-12(11)16-5/h6-9,14H,1-5H3

InChIKey

LNLATAQPCHWIOX-UHFFFAOYSA-N

Compound name

2-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.14125 Da
Monoisotopic Mass: 2.5
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]+	225.148526	151.1
[M+Na]+	247.130468	158.3
[M-H]-	223.133974	153.7
[M+NH4]+	242.175073	169.3
[M+K]+	263.104408	157.2
[M+H-H2O]+	207.138510	145.8
[M+HCOO]-	269.139451	171.0
[M+CH3COO]-	283.155101	190.4
[M+Na-2H]-	245.115916	154.9
[M]+	224.14070142	154.7
[M]-	224.14179858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe