CID 14036516

N-acetylnoradrenaline

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

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

InChI

InChI=1S/C10H13NO4/c1-6(12)11-5-10(15)7-2-3-8(13)9(14)4-7/h2-4,10,13-15H,5H2,1H3,(H,11,12)

InChIKey

WEFKVTFPZQEBGF-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 211.08446 Da
Monoisotopic Mass: -1.0
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]+	212.09174	145.8
[M+Na]+	234.07368	154.8
[M+NH4]+	229.11828	151.4
[M+K]+	250.04762	151.9
[M-H]-	210.07718	145.2
[M+Na-2H]-	232.05913	149.0
[M]+	211.08391	146.4
[M]-	211.08501	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe