CID 102727

N-acetyl-dl-tyrosine amide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CC(=O)NC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C11H14N2O3/c1-7(14)13-11(16)10(12)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6,12H2,1H3,(H,13,14,16)

InChIKey

UECDWMGGNAYEKF-UHFFFAOYSA-N

Compound name

N-acetyl-2-amino-3-(4-hydroxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 172
Patents: 222.10045 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]+	223.107726	150.3
[M+Na]+	245.089668	155.3
[M-H]-	221.093174	152.0
[M+NH4]+	240.134273	166.8
[M+K]+	261.063608	153.6
[M+H-H2O]+	205.097710	143.7
[M+HCOO]-	267.098651	172.1
[M+CH3COO]-	281.114301	191.2
[M+Na-2H]-	243.075116	151.9
[M]+	222.09990142	147.6
[M]-	222.10099858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe