CID 3081973

4-dimethylamino-l-phenylalanine

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CN(C)C1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H16N2O2/c1-13(2)9-5-3-8(4-6-9)7-10(12)11(14)15/h3-6,10H,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1

InChIKey

USEYFCOAPFGKLX-JTQLQIEISA-N

Compound name

(2S)-2-amino-3-[4-(dimethylamino)phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 144
Patents: 208.12119 Da
Monoisotopic Mass: -1.0
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]+	209.12847	147.7
[M+Na]+	231.11041	156.8
[M+NH4]+	226.15501	154.6
[M+K]+	247.08435	152.9
[M-H]-	207.11391	149.5
[M+Na-2H]-	229.09586	152.4
[M]+	208.12064	149.1
[M]-	208.12174	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe