CID 11137305

7342-07-6

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

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

InChI

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

InChIKey

QNRVVPCYHOFMFO-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)prop-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 146.07317 Da
Monoisotopic Mass: 1.7
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	130.5
[M+Na]+	169.06239	143.1
[M+NH4]+	164.10699	135.8
[M+K]+	185.03633	134.0
[M-H]-	145.06589	124.5
[M+Na-2H]-	167.04784	134.5
[M]+	146.07262	129.8
[M]-	146.07372	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe