CID 3061047

78593-82-5

Structural Information

Molecular Formula

C₁₅H₁₅N

SMILES

C1CC2CC1C3=CN(C=C23)C4=CC=CC=C4

InChI

InChI=1S/C15H15N/c1-2-4-13(5-3-1)16-9-14-11-6-7-12(8-11)15(14)10-16/h1-5,9-12H,6-8H2

InChIKey

VGWWXZBRLRNIGC-UHFFFAOYSA-N

Compound name

4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.12045 Da
Monoisotopic Mass: 3.6
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]+	210.12773	146.5
[M+Na]+	232.10967	158.7
[M+NH4]+	227.15427	157.8
[M+K]+	248.08361	155.9
[M-H]-	208.11317	150.2
[M+Na-2H]-	230.09512	151.4
[M]+	209.11990	149.3
[M]-	209.12100	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.