CID 10727811

36769-16-1

Structural Information

Molecular Formula

C₁₃H₁₇N

SMILES

C1C[C@H]2CC(C[C@@H]1N2)C3=CC=CC=C3

InChI

InChI=1S/C13H17N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,11-14H,6-9H2/t11?,12-,13+

InChIKey

ORRDHOXURKUQRK-YHWZYXNKSA-N

Compound name

(1S,5R)-3-phenyl-8-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 187.1361 Da
Monoisotopic Mass: 2.7
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]+	188.14338	143.2
[M+Na]+	210.12532	155.2
[M+NH4]+	205.16992	153.8
[M+K]+	226.09926	148.8
[M-H]-	186.12882	146.7
[M+Na-2H]-	208.11077	148.8
[M]+	187.13555	145.8
[M]-	187.13665	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe