CID 21918

2-skatylquinuclidine

Structural Information

Molecular Formula
C16H20N2
SMILES
C1CN2CCC1CC2CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H20N2/c1-2-4-16-15(3-1)13(11-17-16)10-14-9-12-5-7-18(14)8-6-12/h1-4,11-12,14,17H,5-10H2
InChIKey
GBSQBKPANAIQNO-UHFFFAOYSA-N
Compound name
3-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.16264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 149.7
[M+Na]+ 263.15186 154.7
[M-H]- 239.15536 146.8
[M+NH4]+ 258.19646 170.9
[M+K]+ 279.12580 148.7
[M+H-H2O]+ 223.15990 142.0
[M+HCOO]- 285.16084 159.1
[M+CH3COO]- 299.17649 159.0
[M+Na-2H]- 261.13731 159.1
[M]+ 240.16209 149.2
[M]- 240.16319 149.2
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

No patent data available for this compound.