CID 82721

1-phenethyl-2-picolinium bromide

Structural Information

Molecular Formula

C₁₄H₁₆N

SMILES

CC1=CC=CC=[N+]1CCC2=CC=CC=C2

InChI

InChI=1S/C14H16N/c1-13-7-5-6-11-15(13)12-10-14-8-3-2-4-9-14/h2-9,11H,10,12H2,1H3/q+1

InChIKey

WPBVJSPUBDVPPZ-UHFFFAOYSA-N

Compound name

2-methyl-1-(2-phenylethyl)pyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 137
Patents: 198.12828 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]+	199.13556	143.3
[M+Na]+	221.11750	161.7
[M+NH4]+	216.16210	154.5
[M+K]+	237.09144	152.9
[M-H]-	197.12100	150.6
[M+Na-2H]-	219.10295	155.7
[M]+	198.12773	148.7
[M]-	198.12883	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe