CID 3063870

Beta-(diethylaminomethyl)-beta-ethyl-phenethyl alcohol acetate hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₇NO₂

SMILES

CCC(CN(CC)CC)(COC(=O)C)C1=CC=CC=C1

InChI

InChI=1S/C17H27NO2/c1-5-17(14-20-15(4)19,13-18(6-2)7-3)16-11-9-8-10-12-16/h8-12H,5-7,13-14H2,1-4H3

InChIKey

ZWRITCASROBISK-UHFFFAOYSA-N

Compound name

[2-(diethylaminomethyl)-2-phenylbutyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.2042 Da
Monoisotopic Mass: 3.5
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]+	278.211476	170.4
[M+Na]+	300.193418	174.2
[M-H]-	276.196924	174.3
[M+NH4]+	295.238023	186.8
[M+K]+	316.167358	173.0
[M+H-H2O]+	260.201460	163.1
[M+HCOO]-	322.202401	191.9
[M+CH3COO]-	336.218051	207.4
[M+Na-2H]-	298.178866	173.3
[M]+	277.20365142	174.7
[M]-	277.20474858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.