CID 96498

25877-30-9

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CCN(CC)CCC1=CC=CC=N1

InChI

InChI=1S/C11H18N2/c1-3-13(4-2)10-8-11-7-5-6-9-12-11/h5-7,9H,3-4,8,10H2,1-2H3

InChIKey

PMDWLPBLYZHLHW-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-pyridin-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 178.147 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]+	179.15428	141.5
[M+Na]+	201.13622	153.8
[M+NH4]+	196.18082	150.4
[M+K]+	217.11016	146.4
[M-H]-	177.13972	144.6
[M+Na-2H]-	199.12167	149.3
[M]+	178.14645	144.1
[M]-	178.14755	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe