CID 121604

29969-49-1

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CC1=CC2=C(C=C1)N(C(=O)C=C2)C

InChI

InChI=1S/C11H11NO/c1-8-3-5-10-9(7-8)4-6-11(13)12(10)2/h3-7H,1-2H3

InChIKey

CUPPKIDGACIPHU-UHFFFAOYSA-N

Compound name

1,6-dimethylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 173.08406 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]+	174.091336	133.1
[M+Na]+	196.073278	144.3
[M-H]-	172.076784	137.3
[M+NH4]+	191.117883	154.0
[M+K]+	212.047218	141.0
[M+H-H2O]+	156.081320	126.9
[M+HCOO]-	218.082261	156.1
[M+CH3COO]-	232.097911	182.1
[M+Na-2H]-	194.058726	141.6
[M]+	173.08351142	135.0
[M]-	173.08460858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe