CID 96625

4-(1,5-diazabicyclo(3.2.1)oct-8-yl)-pyridine

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
3
Annotation Hits

7
References

3
Patents

189.1266 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.133876 142.2
[M+Na]+ 212.115818 148.7
[M-H]- 188.119324 143.3
[M+NH4]+ 207.160423 160.7
[M+K]+ 228.089758 145.2
[M+H-H2O]+ 172.123860 133.1
[M+HCOO]- 234.124801 158.2
[M+CH3COO]- 248.140451 153.5
[M+Na-2H]- 210.101266 148.0
[M]+ 189.12605142 137.9
[M]- 189.12714858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe