CID 24971842

Chebi:231778

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CN(C)CCC1=CC(=C(C(=C1)OC)O)OC

InChI

InChI=1S/C12H19NO3/c1-13(2)6-5-9-7-10(15-3)12(14)11(8-9)16-4/h7-8,14H,5-6H2,1-4H3

InChIKey

KCJSOMKZGOMQCA-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethyl]-2,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.13649 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]+	226.143766	150.4
[M+Na]+	248.125708	158.0
[M-H]-	224.129214	154.5
[M+NH4]+	243.170313	169.0
[M+K]+	264.099648	157.5
[M+H-H2O]+	208.133750	144.0
[M+HCOO]-	270.134691	174.7
[M+CH3COO]-	284.150341	195.7
[M+Na-2H]-	246.111156	154.0
[M]+	225.13594142	155.5
[M]-	225.13703858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.