CID 15184634

3-(3-methoxyphenyl)prop-2-yn-1-ol

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

COC1=CC=CC(=C1)C#CCO

InChI

InChI=1S/C10H10O2/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8,11H,7H2,1H3

InChIKey

SGDGRPDGRFOQJL-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)prop-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 162.06808 Da
Monoisotopic Mass: 1.8
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]+	163.07536	133.7
[M+Na]+	185.05730	146.3
[M+NH4]+	180.10190	138.6
[M+K]+	201.03124	136.8
[M-H]-	161.06080	127.5
[M+Na-2H]-	183.04275	137.6
[M]+	162.06753	132.9
[M]-	162.06863	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe