CID 9794392

220099-91-2

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CN2CCC1[C@@]3(C2)CC4=C(O3)N=CC=C4
InChI
InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1
InChIKey
OCKIPDMKGPYYJS-ZDUSSCGKSA-N
Compound name
(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

432
Patents

216.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 140.4
[M+Na]+ 239.11549 145.7
[M-H]- 215.11899 138.8
[M+NH4]+ 234.16009 163.5
[M+K]+ 255.08943 142.9
[M+H-H2O]+ 199.12353 131.7
[M+HCOO]- 261.12447 148.8
[M+CH3COO]- 275.14012 150.6
[M+Na-2H]- 237.10094 151.4
[M]+ 216.12572 140.2
[M]- 216.12682 140.2
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