CID 60079386

3,6-dimethyl-1h-quinolin-4-one

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

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

InChI

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

InChIKey

VTRSSYGQTMPLMQ-UHFFFAOYSA-N

Compound name

3,6-dimethyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 173.08406 Da
Monoisotopic Mass: 2.3
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]+	174.09134	134.7
[M+Na]+	196.07328	150.4
[M+NH4]+	191.11788	144.1
[M+K]+	212.04722	142.8
[M-H]-	172.07678	137.4
[M+Na-2H]-	194.05873	142.4
[M]+	173.08351	137.8
[M]-	173.08461	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe