CID 3039767

4-phenylcyclohex-3-en-1-amine

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1CC(=CCC1N)C2=CC=CC=C2

InChI

InChI=1S/C12H15N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-6,12H,7-9,13H2

InChIKey

FNYUULMCDRLBIY-UHFFFAOYSA-N

Compound name

4-phenylcyclohex-3-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	138.8
[M+Na]+	196.10967	152.3
[M+NH4]+	191.15427	149.2
[M+K]+	212.08361	144.1
[M-H]-	172.11317	144.9
[M+Na-2H]-	194.09512	148.4
[M]+	173.11990	142.5
[M]-	173.12100	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe