CID 71239554

Refchem:425435

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

C#CC1=CC=C(C=C1)N2CCC(CC2)O

InChI

InChI=1S/C13H15NO/c1-2-11-3-5-12(6-4-11)14-9-7-13(15)8-10-14/h1,3-6,13,15H,7-10H2

InChIKey

FZDYPDHAQBBYLW-UHFFFAOYSA-N

Compound name

1-(4-ethynylphenyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 201.11537 Da
Monoisotopic Mass: 2.2
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]+	202.122646	145.7
[M+Na]+	224.104588	154.2
[M-H]-	200.108094	147.1
[M+NH4]+	219.149193	160.6
[M+K]+	240.078528	148.0
[M+H-H2O]+	184.112630	132.5
[M+HCOO]-	246.113571	158.3
[M+CH3COO]-	260.129221	155.5
[M+Na-2H]-	222.090036	148.6
[M]+	201.11482142	135.4
[M]-	201.11591858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe