CID 3063901

N-methyl-4-piperidyl-2-phenyl-2-norbornanecarboxylate hydrochloride

Structural Information

Molecular Formula
C20H27NO2
SMILES
CN1CCC(CC1)OC(=O)C2(CC3CCC2C3)C4=CC=CC=C4
InChI
InChI=1S/C20H27NO2/c1-21-11-9-18(10-12-21)23-19(22)20(16-5-3-2-4-6-16)14-15-7-8-17(20)13-15/h2-6,15,17-18H,7-14H2,1H3
InChIKey
CUBSSIITRCZRMQ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-phenylbicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.8
[M+Na]+ 336.19342 182.2
[M-H]- 312.19692 185.3
[M+NH4]+ 331.23802 198.3
[M+K]+ 352.16736 178.0
[M+H-H2O]+ 296.20146 170.8
[M+HCOO]- 358.20240 193.3
[M+CH3COO]- 372.21805 188.1
[M+Na-2H]- 334.17887 176.4
[M]+ 313.20365 174.0
[M]- 313.20475 174.0
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.