CID 70364

L-tyrosine ethyl ester

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

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

InChI

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

InChIKey

SBBWEQLNKVHYCX-JTQLQIEISA-N

Compound name

ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 21
References: 2728
Patents: 209.1052 Da
Monoisotopic Mass: 0.6
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	146.9
[M+Na]+	232.09442	156.6
[M+NH4]+	227.13902	153.5
[M+K]+	248.06836	152.3
[M-H]-	208.09792	147.6
[M+Na-2H]-	230.07987	151.2
[M]+	209.10465	148.1
[M]-	209.10575	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe