CID 121051

N-acetyltyramine

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(=O)NCCC1=CC=C(C=C1)O

InChI

InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)

InChIKey

ATDWJOOPFDQZNK-UHFFFAOYSA-N

Compound name

N-[2-(4-hydroxyphenyl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 38
References: 143
Patents: 179.09464 Da
Monoisotopic Mass: 1.1
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]+	180.10192	139.1
[M+Na]+	202.08386	150.2
[M+NH4]+	197.12846	146.8
[M+K]+	218.05780	144.5
[M-H]-	178.08736	140.8
[M+Na-2H]-	200.06931	145.1
[M]+	179.09409	140.9
[M]-	179.09519	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe