CID 201440

Ethylnornicotine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CCN1CCC[C@H]1C2=CN=CC=C2

InChI

InChI=1S/C11H16N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3/t11-/m0/s1

InChIKey

VXSLBTSUIZUVFX-NSHDSACASA-N

Compound name

3-[(2S)-1-ethylpyrrolidin-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 176.13135 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]+	177.138626	139.7
[M+Na]+	199.120568	146.4
[M-H]-	175.124074	143.1
[M+NH4]+	194.165173	158.8
[M+K]+	215.094508	143.7
[M+H-H2O]+	159.128610	131.4
[M+HCOO]-	221.129551	160.3
[M+CH3COO]-	235.145201	152.2
[M+Na-2H]-	197.106016	143.9
[M]+	176.13080142	137.0
[M]-	176.13189858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe