CID 16213756

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

Structural Information

Molecular Formula
C10H19NO
SMILES
CC[C@H]1CN2CC[C@H]1C[C@H]2CO
InChI
InChI=1S/C10H19NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h8-10,12H,2-7H2,1H3/t8-,9-,10-/m0/s1
InChIKey
CWZWBZXPEJJRSS-GUBZILKMSA-N
Compound name
[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.15395 140.1
[M+Na]+ 192.13589 144.3
[M-H]- 168.13939 134.1
[M+NH4]+ 187.18049 163.3
[M+K]+ 208.10983 141.9
[M+H-H2O]+ 152.14393 135.4
[M+HCOO]- 214.14487 149.3
[M+CH3COO]- 228.16052 150.0
[M+Na-2H]- 190.12134 149.6
[M]+ 169.14612 140.1
[M]- 169.14722 140.1
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

patents stripe