CID 3043556

55690-01-2

Structural Information

Molecular Formula

C₁₅H₁₃NO

SMILES

CC(C#CC1=CC=CC=C1)(C2=CC=CC=N2)O

InChI

InChI=1S/C15H13NO/c1-15(17,14-9-5-6-12-16-14)11-10-13-7-3-2-4-8-13/h2-9,12,17H,1H3

InChIKey

KLEPIYFAJPBWKT-UHFFFAOYSA-N

Compound name

4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.09972 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]+	224.10700	157.7
[M+Na]+	246.08894	166.9
[M-H]-	222.09244	159.0
[M+NH4]+	241.13354	171.5
[M+K]+	262.06288	160.1
[M+H-H2O]+	206.09698	144.1
[M+HCOO]-	268.09792	171.8
[M+CH3COO]-	282.11357	192.3
[M+Na-2H]-	244.07439	163.4
[M]+	223.09917	150.2
[M]-	223.10027	150.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.