CID 12300225

6-methyl-5,8-dihydroquinoline-5,8-dione

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

CC1=CC(=O)C2=C(C1=O)C=CC=N2

InChI

InChI=1S/C10H7NO2/c1-6-5-8(12)9-7(10(6)13)3-2-4-11-9/h2-5H,1H3

InChIKey

XXQAHBXLRFWCTG-UHFFFAOYSA-N

Compound name

6-methylquinoline-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.04768 Da
Monoisotopic Mass: 1.1
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]+	174.05496	133.3
[M+Na]+	196.03690	148.3
[M+NH4]+	191.08150	142.2
[M+K]+	212.01084	141.3
[M-H]-	172.04040	135.6
[M+Na-2H]-	194.02235	140.3
[M]+	173.04713	136.1
[M]-	173.04823	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe