CID 26851

14733-22-3

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C14H21NO2/c1-4-15(5-2)10-11-17-14-8-6-13(7-9-14)12(3)16/h6-9H,4-5,10-11H2,1-3H3

InChIKey

JUMJDUKKSRYJCT-UHFFFAOYSA-N

Compound name

1-[4-[2-(diethylamino)ethoxy]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 235.15723 Da
Monoisotopic Mass: 2.3
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]+	236.164506	156.3
[M+Na]+	258.146448	161.7
[M-H]-	234.149954	160.8
[M+NH4]+	253.191053	174.5
[M+K]+	274.120388	160.9
[M+H-H2O]+	218.154490	149.2
[M+HCOO]-	280.155431	180.4
[M+CH3COO]-	294.171081	199.9
[M+Na-2H]-	256.131896	159.4
[M]+	235.15668142	160.5
[M]-	235.15777858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe