CID 427842

73771-12-7

Structural Information

Molecular Formula

C₁₀H₁₆NO

SMILES

CCOCC[N+]1=CC=C(C=C1)C

InChI

InChI=1S/C10H16NO/c1-3-12-9-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3/q+1

InChIKey

NYQKHSGKWHYXFZ-UHFFFAOYSA-N

Compound name

1-(2-ethoxyethyl)-4-methylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.12318 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]+	167.130456	137.1
[M+Na]+	189.112398	145.0
[M-H]-	165.115904	139.7
[M+NH4]+	184.157003	156.5
[M+K]+	205.086338	138.0
[M+H-H2O]+	149.120440	133.3
[M+HCOO]-	211.121381	160.0
[M+CH3COO]-	225.137031	173.7
[M+Na-2H]-	187.097846	146.4
[M]+	166.12263142	138.5
[M]-	166.12372858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe