CID 22519

6140-18-7

Structural Information

Molecular Formula

C₁₁H₁₇N₂O

SMILES

CC(=O)NC1=CC(=CC=C1)[N+](C)(C)C

InChI

InChI=1S/C11H16N2O/c1-9(14)12-10-6-5-7-11(8-10)13(2,3)4/h5-8H,1-4H3/p+1

InChIKey

BJTGKIAXWCJQOU-UHFFFAOYSA-O

Compound name

(3-acetamidophenyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 193.1341 Da
Monoisotopic Mass: 1.5
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]+	194.14138	141.4
[M+Na]+	216.12332	154.6
[M+NH4]+	211.16792	150.9
[M+K]+	232.09726	149.5
[M-H]-	192.12682	146.2
[M+Na-2H]-	214.10877	149.7
[M]+	193.13355	145.0
[M]-	193.13465	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe