CID 197979

938-17-0

Structural Information

Molecular Formula

C₁₀H₁₀NO

SMILES

C[N+]1=CC=CC2=C1C(=CC=C2)O

InChI

InChI=1S/C10H9NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h2-7H,1H3/p+1

InChIKey

BOYITWKGAJWSEJ-UHFFFAOYSA-O

Compound name

1-methylquinolin-1-ium-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 54
Patents: 160.07623 Da
Monoisotopic Mass: 2.0
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]+	161.083506	131.8
[M+Na]+	183.065448	141.6
[M-H]-	159.068954	134.7
[M+NH4]+	178.110053	151.9
[M+K]+	199.039388	132.8
[M+H-H2O]+	143.073490	128.5
[M+HCOO]-	205.074431	153.1
[M+CH3COO]-	219.090081	169.4
[M+Na-2H]-	181.050896	143.2
[M]+	160.07568142	130.6
[M]-	160.07677858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe