CID 40710

(m-methoxyphenyl)trimethylammonium iodide

Structural Information

Molecular Formula

C₁₀H₁₆NO

SMILES

C[N+](C)(C)C1=CC(=CC=C1)OC

InChI

InChI=1S/C10H16NO/c1-11(2,3)9-6-5-7-10(8-9)12-4/h5-8H,1-4H3/q+1

InChIKey

WHPHDAQHXCWDGJ-UHFFFAOYSA-N

Compound name

(3-methoxyphenyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 166.12318 Da
Monoisotopic Mass: 2.3
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	133.0
[M+Na]+	189.11240	140.9
[M-H]-	165.11590	138.7
[M+NH4]+	184.15700	154.5
[M+K]+	205.08634	134.9
[M+H-H2O]+	149.12044	130.5
[M+HCOO]-	211.12138	158.1
[M+CH3COO]-	225.13703	178.8
[M+Na-2H]-	187.09785	143.9
[M]+	166.12263	134.1
[M]-	166.12373	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe