CID 12270354

41580-73-8

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC(=O)C1=CC=CC=C1OCC#C

InChI

InChI=1S/C11H10O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h1,4-7H,8H2,2H3

InChIKey

XWRUIANPZDHTHJ-UHFFFAOYSA-N

Compound name

1-(2-prop-2-ynoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.06808 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]+	175.075356	137.2
[M+Na]+	197.057298	147.5
[M-H]-	173.060804	139.5
[M+NH4]+	192.101903	155.3
[M+K]+	213.031238	143.9
[M+H-H2O]+	157.065340	125.7
[M+HCOO]-	219.066281	155.1
[M+CH3COO]-	233.081931	189.0
[M+Na-2H]-	195.042746	141.6
[M]+	174.06753142	133.6
[M]-	174.06862858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe