CID 208598

3-(2-pyridyl)-3-quinuclidinol

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CN2CCC1C(C2)(C3=CC=CC=N3)O
InChI
InChI=1S/C12H16N2O/c15-12(11-3-1-2-6-13-11)9-14-7-4-10(12)5-8-14/h1-3,6,10,15H,4-5,7-9H2
InChIKey
FHOSTDOWRPDWLG-UHFFFAOYSA-N
Compound name
3-pyridin-2-yl-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

204.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 144.4
[M+Na]+ 227.115488 149.3
[M-H]- 203.118994 140.3
[M+NH4]+ 222.160093 166.1
[M+K]+ 243.089428 145.6
[M+H-H2O]+ 187.123530 136.5
[M+HCOO]- 249.124471 153.3
[M+CH3COO]- 263.140121 153.9
[M+Na-2H]- 225.100936 156.9
[M]+ 204.12572142 143.1
[M]- 204.12681858 143.1
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