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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.211476	178.8
[M+Na]+	336.193418	182.2
[M-H]-	312.196924	185.3
[M+NH4]+	331.238023	198.3
[M+K]+	352.167358	178.0
[M+H-H2O]+	296.201460	170.8
[M+HCOO]-	358.202401	193.3
[M+CH3COO]-	372.218051	188.1
[M+Na-2H]-	334.178866	176.4
[M]+	313.20365142	174.0
[M]-	313.20474858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.