CID 46047

3-formylphenyltrimethylammonium iodide

Structural Information

Molecular Formula

C₁₀H₁₄NO

SMILES

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

InChI

InChI=1S/C10H14NO/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-8H,1-3H3/q+1

InChIKey

TYMMFOGNDQOMPE-UHFFFAOYSA-N

Compound name

(3-formylphenyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 164.10754 Da
Monoisotopic Mass: 1.3
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]+	165.11482	131.6
[M+Na]+	187.09676	139.8
[M-H]-	163.10026	137.4
[M+NH4]+	182.14136	153.1
[M+K]+	203.07070	133.2
[M+H-H2O]+	147.10480	129.2
[M+HCOO]-	209.10574	156.9
[M+CH3COO]-	223.12139	177.7
[M+Na-2H]-	185.08221	142.5
[M]+	164.10699	132.0
[M]-	164.10809	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe