CID 927709

N-methylanabasine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CN1CCCC[C@H]1C2=CN=CC=C2

InChI

InChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1

InChIKey

WHAIHNKQZOMXJJ-NSHDSACASA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 288
Patents: 176.13135 Da
Monoisotopic Mass: 1.0
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	140.0
[M+Na]+	199.120568	145.8
[M-H]-	175.124074	143.1
[M+NH4]+	194.165173	157.1
[M+K]+	215.094508	143.0
[M+H-H2O]+	159.128610	131.4
[M+HCOO]-	221.129551	158.4
[M+CH3COO]-	235.145201	151.8
[M+Na-2H]-	197.106016	146.0
[M]+	176.13080142	135.1
[M]-	176.13189858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe