CID 13369754

62245-12-9

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

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

InChI

InChI=1S/C11H11NO2/c1-7(13)8-2-4-10-9(6-8)3-5-11(14)12-10/h2,4,6H,3,5H2,1H3,(H,12,14)

InChIKey

FXPPYJRCOQZMIL-UHFFFAOYSA-N

Compound name

6-acetyl-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 189.07898 Da
Monoisotopic Mass: 0.8
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]+	190.08626	140.0
[M+Na]+	212.06820	152.5
[M+NH4]+	207.11280	148.2
[M+K]+	228.04214	146.4
[M-H]-	188.07170	141.2
[M+Na-2H]-	210.05365	145.0
[M]+	189.07843	141.9
[M]-	189.07953	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe