CID 212362

24239-57-4

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCCOC1=CC=C(C=C1)C(=O)CCN(C)C

InChI

InChI=1S/C14H21NO2/c1-4-11-17-13-7-5-12(6-8-13)14(16)9-10-15(2)3/h5-8H,4,9-11H2,1-3H3

InChIKey

LJBJLFRLEUJYBD-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-(4-propoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 235.15723 Da
Monoisotopic Mass: 2.4
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]+	236.16451	156.3
[M+Na]+	258.14645	161.7
[M-H]-	234.14995	160.8
[M+NH4]+	253.19105	174.5
[M+K]+	274.12039	160.9
[M+H-H2O]+	218.15449	149.2
[M+HCOO]-	280.15543	180.4
[M+CH3COO]-	294.17108	199.9
[M+Na-2H]-	256.13190	159.4
[M]+	235.15668	160.5
[M]-	235.15778	160.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.