CID 2181

(+-)-anabasine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CCNC(C1)C2=CN=CC=C2

InChI

InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2

InChIKey

MTXSIJUGVMTTMU-UHFFFAOYSA-N

Compound name

3-piperidin-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 408
References: 10407
Patents: 162.11569 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]+	163.12297	136.0
[M+Na]+	185.10491	140.8
[M-H]-	161.10841	137.4
[M+NH4]+	180.14951	152.6
[M+K]+	201.07885	137.3
[M+H-H2O]+	145.11295	127.7
[M+HCOO]-	207.11389	153.2
[M+CH3COO]-	221.12954	147.1
[M+Na-2H]-	183.09036	142.8
[M]+	162.11514	128.4
[M]-	162.11624	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe