CID 14936089

2044705-96-4

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1[C@@H]2CNC[C@@H]2[C@H]1C3=CC=CC=C3

InChI

InChI=1S/C12H15N/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11/h1-5,10-13H,6-8H2/t10-,11-,12+/m1/s1

InChIKey

ZEICVRUUVHTYRQ-UTUOFQBUSA-N

Compound name

(1S,5R,6S)-6-phenyl-3-azabicyclo[3.2.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.12045 Da
Monoisotopic Mass: 2.0
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	134.8
[M+Na]+	196.10967	142.5
[M+NH4]+	191.15427	141.0
[M+K]+	212.08361	138.9
[M-H]-	172.11317	135.6
[M+Na-2H]-	194.09512	139.0
[M]+	173.11990	134.9
[M]-	173.12100	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe