CID 10797067

[3-(prop-2-yn-1-yloxy)phenyl]methanol

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C#CCOC1=CC=CC(=C1)CO

InChI

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

InChIKey

CJSZXTASUDBDKP-UHFFFAOYSA-N

Compound name

(3-prop-2-ynoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 360
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	133.9
[M+Na]+	185.057298	144.2
[M-H]-	161.060804	135.1
[M+NH4]+	180.101903	152.0
[M+K]+	201.031238	140.2
[M+H-H2O]+	145.065340	122.7
[M+HCOO]-	207.066281	151.5
[M+CH3COO]-	221.081931	184.0
[M+Na-2H]-	183.042746	139.5
[M]+	162.06753142	129.5
[M]-	162.06862858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe