CID 128278

Nada quinone

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

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

InChI

InChI=1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6H,4-5H2,1H3,(H,11,12)

InChIKey

WALUDRYRFZLUJY-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5
Patents: 193.0739 Da
Monoisotopic Mass: -0.5
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]+	194.08118	141.2
[M+Na]+	216.06312	151.9
[M+NH4]+	211.10772	148.0
[M+K]+	232.03706	146.7
[M-H]-	192.06662	142.2
[M+Na-2H]-	214.04857	145.9
[M]+	193.07335	142.6
[M]-	193.07445	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe