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

7
Patents

204.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 144.4
[M+Na]+ 227.11549 149.3
[M-H]- 203.11899 140.3
[M+NH4]+ 222.16009 166.1
[M+K]+ 243.08943 145.6
[M+H-H2O]+ 187.12353 136.5
[M+HCOO]- 249.12447 153.3
[M+CH3COO]- 263.14012 153.9
[M+Na-2H]- 225.10094 156.9
[M]+ 204.12572 143.1
[M]- 204.12682 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