CID 11830289

N,n-dimethyl-l-phenylalanine

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CN(C)[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C11H15NO2/c1-12(2)10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1

InChIKey

HOGIQTACRLIOHC-JTQLQIEISA-N

Compound name

(2S)-2-(dimethylamino)-3-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 718
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	148.7
[M-H]-	192.10300	146.9
[M+NH4]+	211.14410	162.4
[M+K]+	232.07344	148.1
[M+H-H2O]+	176.10754	137.2
[M+HCOO]-	238.10848	166.2
[M+CH3COO]-	252.12413	188.0
[M+Na-2H]-	214.08495	147.2
[M]+	193.10973	143.7
[M]-	193.11083	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe