CID 201009

3087-01-2

Structural Information

Molecular Formula

C₁₆H₂₁NO₂

SMILES

CN1C2CCC1CC(C2)OC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H21NO2/c1-17-13-7-8-14(17)11-15(10-13)19-16(18)9-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3

InChIKey

DCINQANYMBYYCH-UHFFFAOYSA-N

Compound name

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 259.15723 Da
Monoisotopic Mass: 2.9
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]+	260.16451	161.8
[M+Na]+	282.14645	166.9
[M-H]-	258.14995	165.6
[M+NH4]+	277.19105	180.4
[M+K]+	298.12039	163.5
[M+H-H2O]+	242.15449	154.3
[M+HCOO]-	304.15543	178.4
[M+CH3COO]-	318.17108	196.4
[M+Na-2H]-	280.13190	163.5
[M]+	259.15668	160.0
[M]-	259.15778	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe