CID 538819

1-acetylindolin-3-one

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC(=O)N1CC(=O)C2=CC=CC=C21

InChI

InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3

InChIKey

AUMJJQZNOVOCGY-UHFFFAOYSA-N

Compound name

1-acetyl-2H-indol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
Patents: 175.06332 Da
Monoisotopic Mass: 0.9
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]+	176.07060	135.9
[M+Na]+	198.05254	148.1
[M+NH4]+	193.09714	144.4
[M+K]+	214.02648	144.1
[M-H]-	174.05604	136.9
[M+Na-2H]-	196.03799	140.8
[M]+	175.06277	137.7
[M]-	175.06387	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe