CID 193691

N-acetyloctopamine

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC(=O)NCC(C1=CC=C(C=C1)O)O

InChI

InChI=1S/C10H13NO3/c1-7(12)11-6-10(14)8-2-4-9(13)5-3-8/h2-5,10,13-14H,6H2,1H3,(H,11,12)

InChIKey

KAWMSLLRABYLGN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 195.08954 Da
Monoisotopic Mass: 0.2
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]+	196.09682	142.4
[M+Na]+	218.07876	148.2
[M-H]-	194.08226	143.4
[M+NH4]+	213.12336	160.0
[M+K]+	234.05270	146.3
[M+H-H2O]+	178.08680	136.6
[M+HCOO]-	240.08774	163.5
[M+CH3COO]-	254.10339	181.6
[M+Na-2H]-	216.06421	146.1
[M]+	195.08899	140.7
[M]-	195.09009	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe