CID 21963770

2490430-24-3

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1C2CC(C1CN2)C3=CC=CC=C3

InChI

InChI=1S/C12H15N/c1-2-4-9(5-3-1)12-7-11-6-10(12)8-13-11/h1-5,10-13H,6-8H2

InChIKey

MUROLIFHOWBXIX-UHFFFAOYSA-N

Compound name

5-phenyl-2-azabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 173.12045 Da
Monoisotopic Mass: 2.1
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]+	174.12773	138.8
[M+Na]+	196.10967	149.9
[M+NH4]+	191.15427	149.2
[M+K]+	212.08361	146.0
[M-H]-	172.11317	141.5
[M+Na-2H]-	194.09512	143.6
[M]+	173.11990	141.0
[M]-	173.12100	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe