CID 100526

N-acetyldopamine

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

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

InChIKey

OFSAJYZMIPNPHE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 107
References: 247
Patents: 195.08954 Da
Monoisotopic Mass: -0.7
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	142.3
[M+Na]+	218.07876	152.7
[M+NH4]+	213.12336	149.0
[M+K]+	234.05270	148.1
[M-H]-	194.08226	142.9
[M+Na-2H]-	216.06421	146.9
[M]+	195.08899	143.6
[M]-	195.09009	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe