CID 657202

Octatropine

Structural Information

Molecular Formula
C17H32NO2
SMILES
CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C
InChI
InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16?
InChIKey
XGGHHHBGPSNXFE-XYPWUTKMSA-N
Compound name
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

33
References

2796
Patents

282.24332 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.25060 170.3
[M+Na]+ 305.23254 180.1
[M+NH4]+ 300.27714 180.4
[M+K]+ 321.20648 174.3
[M-H]- 281.23604 171.5
[M+Na-2H]- 303.21799 172.0
[M]+ 282.24277 172.3
[M]- 282.24387 172.3
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.