CID 9815889

24811-92-5

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

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

InChI

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

InChIKey

WYVAVFURKHCMTG-UHFFFAOYSA-N

Compound name

ethyl 3-(dimethylamino)-2-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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	152.7
[M+Na]+	244.130808	157.5
[M-H]-	220.134314	157.2
[M+NH4]+	239.175413	171.2
[M+K]+	260.104748	157.4
[M+H-H2O]+	204.138850	145.7
[M+HCOO]-	266.139791	176.2
[M+CH3COO]-	280.155441	195.9
[M+Na-2H]-	242.116256	155.8
[M]+	221.14104142	155.4
[M]-	221.14213858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe