CID 59805215

4-(4-ethynylphenyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

C#CC1=CC=C(C=C1)C2CCNCC2

InChI

InChI=1S/C13H15N/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h1,3-6,13-14H,7-10H2

InChIKey

SSTFHDWSGFRESA-UHFFFAOYSA-N

Compound name

4-(4-ethynylphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 185.12045 Da
Monoisotopic Mass: 2.3
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]+	186.12773	146.8
[M+Na]+	208.10967	159.5
[M+NH4]+	203.15427	152.4
[M+K]+	224.08361	148.6
[M-H]-	184.11317	142.5
[M+Na-2H]-	206.09512	151.3
[M]+	185.11990	146.6
[M]-	185.12100	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe