CID 74229

1639-35-6

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CN(C)CCC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C11H15NO2/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13/h3-6,13H,7-8H2,1-2H3

InChIKey

KIEOSMNUIUKKQZ-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-(2-hydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 193.11028 Da
Monoisotopic Mass: 2.0
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]+	194.11756	143.1
[M+Na]+	216.09950	154.2
[M+NH4]+	211.14410	150.9
[M+K]+	232.07344	148.8
[M-H]-	192.10300	145.1
[M+Na-2H]-	214.08495	149.1
[M]+	193.10973	145.1
[M]-	193.11083	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe