CID 30925

3-acetyl-6,7-dihydro-indol-4(5h)-one

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC(=O)C1=CNC2=C1C(=O)CCC2

InChI

InChI=1S/C10H11NO2/c1-6(12)7-5-11-8-3-2-4-9(13)10(7)8/h5,11H,2-4H2,1H3

InChIKey

DJVGTOGEQZBUAS-UHFFFAOYSA-N

Compound name

3-acetyl-1,5,6,7-tetrahydroindol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.07898 Da
Monoisotopic Mass: 0.5
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]+	178.086256	137.1
[M+Na]+	200.068198	145.0
[M-H]-	176.071704	138.9
[M+NH4]+	195.112803	158.1
[M+K]+	216.042138	141.9
[M+H-H2O]+	160.076240	131.5
[M+HCOO]-	222.077181	156.0
[M+CH3COO]-	236.092831	177.9
[M+Na-2H]-	198.053646	140.4
[M]+	177.07843142	134.2
[M]-	177.07952858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe