CID 17039618

178984-37-7

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CC1=C(C2=C(C=C1)C(=O)C=CN2)C

InChI

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

InChIKey

WNBSNWXFDDNXMY-UHFFFAOYSA-N

Compound name

7,8-dimethyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	133.9
[M+Na]+	196.07328	144.7
[M-H]-	172.07678	136.7
[M+NH4]+	191.11788	154.1
[M+K]+	212.04722	140.4
[M+H-H2O]+	156.08132	128.0
[M+HCOO]-	218.08226	155.4
[M+CH3COO]-	232.09791	179.5
[M+Na-2H]-	194.05873	141.9
[M]+	173.08351	134.0
[M]-	173.08461	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe