CID 19360495

197145-37-2

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CC(CN(C)C)C(=O)C1=CC(=CC=C1)OC

InChI

InChI=1S/C13H19NO2/c1-10(9-14(2)3)13(15)11-6-5-7-12(8-11)16-4/h5-8,10H,9H2,1-4H3

InChIKey

YHCVGGJYRMYIGG-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 128
Patents: 221.14159 Da
Monoisotopic Mass: 2.1
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]+	222.148866	151.6
[M+Na]+	244.130808	157.2
[M-H]-	220.134314	156.4
[M+NH4]+	239.175413	170.3
[M+K]+	260.104748	157.2
[M+H-H2O]+	204.138850	144.8
[M+HCOO]-	266.139791	175.0
[M+CH3COO]-	280.155441	197.8
[M+Na-2H]-	242.116256	154.0
[M]+	221.14104142	154.8
[M]-	221.14213858	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe