CID 24844772

Pyridinium, 2-pyridyl-2-ethyl-, phosphate

Structural Information

Molecular Formula

C₁₂H₁₃N₂

SMILES

C1=CC=[N+](C=C1)CCC2=CC=CC=N2

InChI

InChI=1S/C12H13N2/c1-4-9-14(10-5-1)11-7-12-6-2-3-8-13-12/h1-6,8-10H,7,11H2/q+1

InChIKey

DEZUHFBOVFPUON-UHFFFAOYSA-N

Compound name

2-(2-pyridin-1-ium-1-ylethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.10788 Da
Monoisotopic Mass: 1.6
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]+	186.115156	141.8
[M+Na]+	208.097098	149.1
[M-H]-	184.100604	145.6
[M+NH4]+	203.141703	158.1
[M+K]+	224.071038	139.9
[M+H-H2O]+	168.105140	135.7
[M+HCOO]-	230.106081	163.8
[M+CH3COO]-	244.121731	175.2
[M+Na-2H]-	206.082546	153.2
[M]+	185.10733142	139.9
[M]-	185.10842858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe