CID 12648559

2416233-70-8

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1(CCC(=O)C2=C1N=CC=C2)C

InChI

InChI=1S/C11H13NO/c1-11(2)6-5-9(13)8-4-3-7-12-10(8)11/h3-4,7H,5-6H2,1-2H3

InChIKey

QYYFMKBGKBGWBF-UHFFFAOYSA-N

Compound name

8,8-dimethyl-6,7-dihydroquinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.09972 Da
Monoisotopic Mass: 1.9
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]+	176.10700	136.1
[M+Na]+	198.08894	145.3
[M-H]-	174.09244	139.6
[M+NH4]+	193.13354	158.5
[M+K]+	214.06288	142.6
[M+H-H2O]+	158.09698	130.0
[M+HCOO]-	220.09792	156.2
[M+CH3COO]-	234.11357	181.0
[M+Na-2H]-	196.07439	144.3
[M]+	175.09917	135.0
[M]-	175.10027	135.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.