CID 258564

1-acetyl-6-aminoindoline

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC(=O)N1CCC2=C1C=C(C=C2)N

InChI

InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3

InChIKey

LOZKZWIQDVEDCQ-UHFFFAOYSA-N

Compound name

1-(6-amino-2,3-dihydroindol-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 331
Patents: 176.09496 Da
Monoisotopic Mass: 0.6
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]+	177.10224	137.4
[M+Na]+	199.08418	148.4
[M+NH4]+	194.12878	146.0
[M+K]+	215.05812	144.6
[M-H]-	175.08768	139.2
[M+Na-2H]-	197.06963	142.0
[M]+	176.09441	139.2
[M]-	176.09551	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe