CID 27213

Anazocine

Structural Information

Molecular Formula

C₁₆H₂₃NO

SMILES

CN1CC2CCCC(C1)C2(C3=CC=CC=C3)OC

InChI

InChI=1S/C16H23NO/c1-17-11-14-9-6-10-15(12-17)16(14,18-2)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3

InChIKey

YFFNPIAPUDUYAU-UHFFFAOYSA-N

Compound name

9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 88
Patents: 245.17796 Da
Monoisotopic Mass: 2.8
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]+	246.18524	159.4
[M+Na]+	268.16718	164.5
[M-H]-	244.17068	162.9
[M+NH4]+	263.21178	178.7
[M+K]+	284.14112	160.9
[M+H-H2O]+	228.17522	151.1
[M+HCOO]-	290.17616	174.3
[M+CH3COO]-	304.19181	169.8
[M+Na-2H]-	266.15263	164.8
[M]+	245.17741	155.5
[M]-	245.17851	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe