CID 14422734

123094-71-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1CC2=C(C=C(C=N2)O)C(=O)C1

InChI

InChI=1S/C10H11NO2/c1-6-2-9-8(10(13)3-6)4-7(12)5-11-9/h4-6,12H,2-3H2,1H3

InChIKey

QUKFVQLIZBMCII-UHFFFAOYSA-N

Compound name

3-hydroxy-7-methyl-7,8-dihydro-6H-quinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 177.07898 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]+	178.08626	135.3
[M+Na]+	200.06820	144.4
[M-H]-	176.07170	137.5
[M+NH4]+	195.11280	155.0
[M+K]+	216.04214	141.3
[M+H-H2O]+	160.07624	129.3
[M+HCOO]-	222.07718	154.4
[M+CH3COO]-	236.09283	179.1
[M+Na-2H]-	198.05365	141.8
[M]+	177.07843	133.6
[M]-	177.07953	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe