CID 9989532

1-(indolin-6-yl)ethanone

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC(=O)C1=CC2=C(CCN2)C=C1

InChI

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

InChIKey

IPLQKFTXVNWKGX-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-indol-6-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 161.08406 Da
Monoisotopic Mass: 1.8
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	134.1
[M+Na]+	184.07328	145.7
[M+NH4]+	179.11788	143.0
[M+K]+	200.04722	141.3
[M-H]-	160.07678	135.3
[M+Na-2H]-	182.05873	139.1
[M]+	161.08351	135.9
[M]-	161.08461	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe