CID 48688

(5-hydroxy-o-tolyl)trimethylammonium bromide

Structural Information

Molecular Formula

C₁₀H₁₆NO

SMILES

CC1=C(C=C(C=C1)O)[N+](C)(C)C

InChI

InChI=1S/C10H15NO/c1-8-5-6-9(12)7-10(8)11(2,3)4/h5-7H,1-4H3/p+1

InChIKey

JSGBTKWCLLGUQI-UHFFFAOYSA-O

Compound name

(5-hydroxy-2-methylphenyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 166.12318 Da
Monoisotopic Mass: 1.8
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]+	167.13046	132.5
[M+Na]+	189.11240	140.9
[M-H]-	165.11590	137.3
[M+NH4]+	184.15700	153.7
[M+K]+	205.08634	134.1
[M+H-H2O]+	149.12044	130.6
[M+HCOO]-	211.12138	156.1
[M+CH3COO]-	225.13703	177.0
[M+Na-2H]-	187.09785	142.4
[M]+	166.12263	132.2
[M]-	166.12373	132.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.