CID 12520908

3-(dimethylamino)-3-phenylpropanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

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

InChIKey

JTKDHNKYUPVADI-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-3-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 193.11028 Da
Monoisotopic Mass: -0.4
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]+	194.11756	143.6
[M+Na]+	216.09950	153.9
[M+NH4]+	211.14410	151.2
[M+K]+	232.07344	149.1
[M-H]-	192.10300	145.2
[M+Na-2H]-	214.08495	149.4
[M]+	193.10973	145.3
[M]-	193.11083	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe