CID 3063905

3-tropanyl 2-phenyl-2-norbornanecarboxylate hydrochloride

Structural Information

Molecular Formula
C22H29NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)C3(CC4CCC3C4)C5=CC=CC=C5
InChI
InChI=1S/C22H29NO2/c1-23-18-9-10-19(23)13-20(12-18)25-21(24)22(16-5-3-2-4-6-16)14-15-7-8-17(22)11-15/h2-6,15,17-20H,7-14H2,1H3
InChIKey
NNDMJYSBXXXKOU-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 186.0
[M+Na]+ 362.20904 189.8
[M-H]- 338.21254 192.3
[M+NH4]+ 357.25364 207.8
[M+K]+ 378.18298 184.6
[M+H-H2O]+ 322.21708 179.1
[M+HCOO]- 384.21802 198.5
[M+CH3COO]- 398.23367 194.8
[M+Na-2H]- 360.19449 181.3
[M]+ 339.21927 182.3
[M]- 339.22037 182.3
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.