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

7
Patents

168.16264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.169916 140.0
[M+Na]+ 191.151858 143.9
[M-H]- 167.155364 134.8
[M+NH4]+ 186.196463 163.5
[M+K]+ 207.125798 141.6
[M+H-H2O]+ 151.159900 135.0
[M+HCOO]- 213.160841 150.9
[M+CH3COO]- 227.176491 150.0
[M+Na-2H]- 189.137306 149.4
[M]+ 168.16209142 138.8
[M]- 168.16318858 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.