CID 85348695

Tetrahydroanabasine

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

C1CCNC(C1)C2CCCN=C2

InChI

InChI=1S/C10H18N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h8-10,12H,1-7H2

InChIKey

NPBVVFSCSMZKTB-UHFFFAOYSA-N

Compound name

5-piperidin-2-yl-2,3,4,5-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.147 Da
Monoisotopic Mass: 0.6
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]+	167.154276	140.0
[M+Na]+	189.136218	142.6
[M-H]-	165.139724	140.6
[M+NH4]+	184.180823	156.2
[M+K]+	205.110158	139.6
[M+H-H2O]+	149.144260	131.4
[M+HCOO]-	211.145201	154.2
[M+CH3COO]-	225.160851	149.8
[M+Na-2H]-	187.121666	144.5
[M]+	166.14645142	129.5
[M]-	166.14754858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.