CID 24975369

(2-ethynyl-5-methoxyphenyl)methanol

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

InChI=1S/C10H10O2/c1-3-8-4-5-10(12-2)6-9(8)7-11/h1,4-6,11H,7H2,2H3

InChIKey

FZJLXTSBINZMSK-UHFFFAOYSA-N

Compound name

(2-ethynyl-5-methoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.06808 Da
Monoisotopic Mass: 1.3
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]+	163.075356	133.2
[M+Na]+	185.057298	144.3
[M-H]-	161.060804	134.8
[M+NH4]+	180.101903	151.5
[M+K]+	201.031238	140.4
[M+H-H2O]+	145.065340	122.3
[M+HCOO]-	207.066281	150.9
[M+CH3COO]-	221.081931	185.0
[M+Na-2H]-	183.042746	138.2
[M]+	162.06753142	129.1
[M]-	162.06862858	129.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.