CID 83908407

2580226-62-4

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

C1CNCCC1C2(CC2)C3=CC=CC=C3

InChI

InChI=1S/C14H19N/c1-2-4-12(5-3-1)14(8-9-14)13-6-10-15-11-7-13/h1-5,13,15H,6-11H2

InChIKey

RDNLXJFZOCKNKD-UHFFFAOYSA-N

Compound name

4-(1-phenylcyclopropyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 201.15175 Da
Monoisotopic Mass: 3.2
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]+	202.159026	147.6
[M+Na]+	224.140968	153.6
[M-H]-	200.144474	154.3
[M+NH4]+	219.185573	161.2
[M+K]+	240.114908	150.2
[M+H-H2O]+	184.149010	139.9
[M+HCOO]-	246.149951	165.6
[M+CH3COO]-	260.165601	158.4
[M+Na-2H]-	222.126416	153.5
[M]+	201.15120142	142.7
[M]-	201.15229858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe