CID 11401004

(2r,4s,5r)-2-aminomethyl-5-ethylquinuclidine

Structural Information

Molecular Formula
C10H20N2
SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2CN
InChI
InChI=1S/C10H20N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h8-10H,2-7,11H2,1H3/t8-,9-,10+/m0/s1
InChIKey
HUVUAKNHVGVNGQ-LPEHRKFASA-N
Compound name
[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

168.16264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.16992 140.0
[M+Na]+ 191.15186 143.9
[M-H]- 167.15536 134.8
[M+NH4]+ 186.19646 163.5
[M+K]+ 207.12580 141.6
[M+H-H2O]+ 151.15990 135.0
[M+HCOO]- 213.16084 150.9
[M+CH3COO]- 227.17649 150.0
[M+Na-2H]- 189.13731 149.4
[M]+ 168.16209 138.8
[M]- 168.16319 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.