CID 3025659

Brn 6061518

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CCOC1=CC=CC=C1OCC2(CCCNC2)O

InChI

InChI=1S/C14H21NO3/c1-2-17-12-6-3-4-7-13(12)18-11-14(16)8-5-9-15-10-14/h3-4,6-7,15-16H,2,5,8-11H2,1H3

InChIKey

DTZJOKALKLTLDD-UHFFFAOYSA-N

Compound name

3-[(2-ethoxyphenoxy)methyl]piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 251.15215 Da
Monoisotopic Mass: 1.5
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]+	252.159426	159.4
[M+Na]+	274.141368	163.8
[M-H]-	250.144874	161.0
[M+NH4]+	269.185973	175.3
[M+K]+	290.115308	160.5
[M+H-H2O]+	234.149410	151.9
[M+HCOO]-	296.150351	175.8
[M+CH3COO]-	310.166001	187.4
[M+Na-2H]-	272.126816	164.0
[M]+	251.15160142	156.0
[M]-	251.15269858	156.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.