CID 12798219

2-propylquinolin-4-ol

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CCCC1=CC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C12H13NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h3-4,6-8H,2,5H2,1H3,(H,13,14)

InChIKey

ASGOXASWRFTXHV-UHFFFAOYSA-N

Compound name

2-propyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 187.09972 Da
Monoisotopic Mass: 2.7
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]+	188.10700	138.9
[M+Na]+	210.08894	148.3
[M-H]-	186.09244	141.0
[M+NH4]+	205.13354	158.1
[M+K]+	226.06288	143.7
[M+H-H2O]+	170.09698	132.4
[M+HCOO]-	232.09792	160.0
[M+CH3COO]-	246.11357	181.3
[M+Na-2H]-	208.07439	147.0
[M]+	187.09917	138.8
[M]-	187.10027	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe