CID 162571

Anc 821

Structural Information

Molecular Formula

C₂₀H₂₇NO₂

SMILES

C1CCC(CC1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4

InChI

InChI=1S/C20H27NO2/c22-19(23-18-15-21-13-9-16(18)10-14-21)20(11-5-2-6-12-20)17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2

InChIKey

DGCDVGUAZJYESZ-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-yl 1-phenylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 313.2042 Da
Monoisotopic Mass: 4.3
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	171.9
[M+Na]+	336.193418	171.4
[M-H]-	312.196924	171.2
[M+NH4]+	331.238023	189.8
[M+K]+	352.167358	167.3
[M+H-H2O]+	296.201460	161.6
[M+HCOO]-	358.202401	176.8
[M+CH3COO]-	372.218051	178.1
[M+Na-2H]-	334.178866	178.5
[M]+	313.20365142	167.1
[M]-	313.20474858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe