CID 13266406

91324-45-7

Structural Information

Molecular Formula

C₂₁H₂₃NO

SMILES

CN1CCC(CC1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H23NO/c1-22-16-13-18(14-17-22)12-15-21(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,13-14,16-17H2,1H3

InChIKey

MBKPZXKCWLKVFC-UHFFFAOYSA-N

Compound name

3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 305.17798 Da
Monoisotopic Mass: 3.6
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]+	306.185256	180.4
[M+Na]+	328.167198	186.8
[M-H]-	304.170704	183.0
[M+NH4]+	323.211803	190.6
[M+K]+	344.141138	177.5
[M+H-H2O]+	288.175240	165.2
[M+HCOO]-	350.176181	189.9
[M+CH3COO]-	364.191831	187.1
[M+Na-2H]-	326.152646	181.9
[M]+	305.17743142	168.8
[M]-	305.17852858	168.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.