CID 151243

L-tyrosine amide

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N)N)O

InChI

InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1

InChIKey

PQFMNVGMJJMLAE-QMMMGPOBSA-N

Compound name

(2S)-2-amino-3-(4-hydroxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 58
References: 1721
Patents: 180.08987 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]+	181.09715	139.1
[M+Na]+	203.07909	144.9
[M-H]-	179.08259	140.5
[M+NH4]+	198.12369	157.1
[M+K]+	219.05303	142.8
[M+H-H2O]+	163.08713	132.9
[M+HCOO]-	225.08807	161.5
[M+CH3COO]-	239.10372	183.6
[M+Na-2H]-	201.06454	141.9
[M]+	180.08932	134.7
[M]-	180.09042	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe