CID 51946

P-tolyltriethylammonium iodide

Structural Information

Molecular Formula

C₁₃H₂₂N

SMILES

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

InChI

InChI=1S/C13H22N/c1-5-14(6-2,7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3/q+1

InChIKey

AKRUITQMOURRCL-UHFFFAOYSA-N

Compound name

triethyl-(4-methylphenyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 192.17523 Da
Monoisotopic Mass: 3.3
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]+	193.18251	144.0
[M+Na]+	215.16445	158.9
[M+NH4]+	210.20905	154.7
[M+K]+	231.13839	151.6
[M-H]-	191.16795	149.5
[M+Na-2H]-	213.14990	153.1
[M]+	192.17468	148.3
[M]-	192.17578	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe