CID 43196827

3-amino-2-[(3,5-dimethoxyphenyl)methyl]propan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

COC1=CC(=CC(=C1)CC(CN)CO)OC

InChI

InChI=1S/C12H19NO3/c1-15-11-4-9(3-10(7-13)8-14)5-12(6-11)16-2/h4-6,10,14H,3,7-8,13H2,1-2H3

InChIKey

LZVNICOTZCXKSS-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3-(3,5-dimethoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.13649 Da
Monoisotopic Mass: 0.8
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]+	226.143766	152.0
[M+Na]+	248.125708	158.2
[M-H]-	224.129214	153.7
[M+NH4]+	243.170313	169.3
[M+K]+	264.099648	156.4
[M+H-H2O]+	208.133750	145.6
[M+HCOO]-	270.134691	174.1
[M+CH3COO]-	284.150341	191.4
[M+Na-2H]-	246.111156	154.6
[M]+	225.13594142	153.8
[M]-	225.13703858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.