CID 3039767

51171-82-5

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: 14
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	137.5
[M+Na]+	196.10967	143.1
[M-H]-	172.11317	143.3
[M+NH4]+	191.15427	157.0
[M+K]+	212.08361	139.6
[M+H-H2O]+	156.11771	130.7
[M+HCOO]-	218.11865	160.2
[M+CH3COO]-	232.13430	181.9
[M+Na-2H]-	194.09512	143.4
[M]+	173.11990	131.7
[M]-	173.12100	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe