CID 92098

2-phenyl-3-butyn-2-ol

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

CC(C#C)(C1=CC=CC=C1)O

InChI

InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3

InChIKey

KSLSOBUAIFEGLT-UHFFFAOYSA-N

Compound name

2-phenylbut-3-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 5900
Patents: 146.07317 Da
Monoisotopic Mass: 1.5
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]+	147.08045	135.7
[M+Na]+	169.06239	145.5
[M-H]-	145.06589	136.8
[M+NH4]+	164.10699	154.1
[M+K]+	185.03633	141.4
[M+H-H2O]+	129.07043	125.0
[M+HCOO]-	191.07137	151.6
[M+CH3COO]-	205.08702	181.5
[M+Na-2H]-	167.04784	142.0
[M]+	146.07262	129.1
[M]-	146.07372	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe