CID 257950

1-methoxy-4-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

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

InChIKey

YRHCGFRCOATEFD-UHFFFAOYSA-N

Compound name

1-methoxy-4-prop-2-ynoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 162.06808 Da
Monoisotopic Mass: 2.0
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	132.1
[M+Na]+	185.057298	142.8
[M-H]-	161.060804	134.6
[M+NH4]+	180.101903	150.9
[M+K]+	201.031238	139.6
[M+H-H2O]+	145.065340	120.7
[M+HCOO]-	207.066281	151.2
[M+CH3COO]-	221.081931	186.4
[M+Na-2H]-	183.042746	138.3
[M]+	162.06753142	129.5
[M]-	162.06862858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe