CID 96625

13022-80-5

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

C1CN2CCN(C1)C2C3=CC=NC=C3

InChI

InChI=1S/C11H15N3/c1-6-13-8-9-14(7-1)11(13)10-2-4-12-5-3-10/h2-5,11H,1,6-9H2

InChIKey

JIKHJTHQLORZIX-UHFFFAOYSA-N

Compound name

8-pyridin-4-yl-1,5-diazabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 3
Patents: 189.1266 Da
Monoisotopic Mass: 0.8
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]+	190.13388	143.0
[M+Na]+	212.11582	155.5
[M+NH4]+	207.16042	152.5
[M+K]+	228.08976	149.8
[M-H]-	188.11932	145.3
[M+Na-2H]-	210.10127	148.7
[M]+	189.12605	145.3
[M]-	189.12715	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe