CID 44249371

17350-74-2

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

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

InChI

InChI=1S/C11H15NO3/c1-12(2)10(11(14)15)7-8-3-5-9(13)6-4-8/h3-6,10,13H,7H2,1-2H3,(H,14,15)/t10-/m0/s1

InChIKey

WJJGAKCAAJOICV-JTQLQIEISA-N

Compound name

(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1159
Patents: 209.1052 Da
Monoisotopic Mass: -0.8
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]+	210.11248	146.6
[M+Na]+	232.09442	156.3
[M+NH4]+	227.13902	153.2
[M+K]+	248.06836	152.6
[M-H]-	208.09792	147.2
[M+Na-2H]-	230.07987	151.1
[M]+	209.10465	147.8
[M]-	209.10575	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe