CID 71792

Talsaclidine

Structural Information

Molecular Formula
C10H15NO
SMILES
C#CCO[C@H]1CN2CCC1CC2
InChI
InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
InChIKey
XVFJONKUSLSKSW-JTQLQIEISA-N
Compound name
(3R)-3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

1352
Patents

165.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 135.6
[M+Na]+ 188.10459 143.5
[M-H]- 164.10809 130.9
[M+NH4]+ 183.14919 157.0
[M+K]+ 204.07853 136.2
[M+H-H2O]+ 148.11263 125.4
[M+HCOO]- 210.11357 142.5
[M+CH3COO]- 224.12922 145.0
[M+Na-2H]- 186.09004 145.3
[M]+ 165.11482 131.4
[M]- 165.11592 131.4
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