CID 788662

332883-19-9

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)C=O)C

InChI

InChI=1S/C12H11NO2/c1-7-3-8(2)11-9(4-7)5-10(6-14)12(15)13-11/h3-6H,1-2H3,(H,13,15)

InChIKey

SGLNASSZZCFBTP-UHFFFAOYSA-N

Compound name

6,8-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 201.07898 Da
Monoisotopic Mass: 1.7
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]+	202.08626	140.3
[M+Na]+	224.06820	151.8
[M-H]-	200.07170	143.3
[M+NH4]+	219.11280	159.5
[M+K]+	240.04214	147.2
[M+H-H2O]+	184.07624	134.2
[M+HCOO]-	246.07718	161.8
[M+CH3COO]-	260.09283	185.0
[M+Na-2H]-	222.05365	147.0
[M]+	201.07843	141.8
[M]-	201.07953	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe