CID 3051333

Quinolinium, 8-hydroxy-1-isopropyl-, iodide

Structural Information

Molecular Formula

C₁₂H₁₄NO

SMILES

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

InChI

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

InChIKey

MQXNRDQIHWKEIJ-UHFFFAOYSA-O

Compound name

1-propan-2-ylquinolin-1-ium-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 188.10754 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]+	189.11482	141.3
[M+Na]+	211.09676	149.9
[M-H]-	187.10026	143.9
[M+NH4]+	206.14136	160.2
[M+K]+	227.07070	141.0
[M+H-H2O]+	171.10480	137.7
[M+HCOO]-	233.10574	160.9
[M+CH3COO]-	247.12139	176.2
[M+Na-2H]-	209.08221	150.3
[M]+	188.10699	140.1
[M]-	188.10809	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe