CID 3040765

Brn 1491722

Structural Information

Molecular Formula

C₁₉H₂₇NO₃

SMILES

CC(C)OC(=O)N1CC2CCCC(C1)C2(C3=CC=CC=C3)OC

InChI

InChI=1S/C19H27NO3/c1-14(2)23-18(21)20-12-16-10-7-11-17(13-20)19(16,22-3)15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3

InChIKey

XVWSIWMYCCSSCR-UHFFFAOYSA-N

Compound name

propan-2-yl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.1991 Da
Monoisotopic Mass: 3.4
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]+	318.206376	178.2
[M+Na]+	340.188318	181.5
[M-H]-	316.191824	181.2
[M+NH4]+	335.232923	194.3
[M+K]+	356.162258	179.1
[M+H-H2O]+	300.196360	169.7
[M+HCOO]-	362.197301	190.5
[M+CH3COO]-	376.212951	207.8
[M+Na-2H]-	338.173766	180.0
[M]+	317.19855142	176.1
[M]-	317.19964858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.