CID 27673

1-acetylindoline

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC(=O)N1CCC2=CC=CC=C21

InChI

InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3

InChIKey

RNTCWULFNYNFGI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 981
Patents: 161.08406 Da
Monoisotopic Mass: 1.3
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]+	162.09134	133.4
[M+Na]+	184.07328	141.8
[M-H]-	160.07678	136.7
[M+NH4]+	179.11788	155.9
[M+K]+	200.04722	139.6
[M+H-H2O]+	144.08132	127.4
[M+HCOO]-	206.08226	155.1
[M+CH3COO]-	220.09791	177.1
[M+Na-2H]-	182.05873	138.8
[M]+	161.08351	132.7
[M]-	161.08461	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe