CID 19782455

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

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

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

InChI

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

InChIKey

LGOGUROFAUCLCK-UHFFFAOYSA-N

Compound name

1-(3-prop-2-ynoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 174.06808 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]+	175.07536	137.2
[M+Na]+	197.05730	147.5
[M-H]-	173.06080	139.5
[M+NH4]+	192.10190	155.3
[M+K]+	213.03124	143.9
[M+H-H2O]+	157.06534	125.7
[M+HCOO]-	219.06628	155.1
[M+CH3COO]-	233.08193	189.0
[M+Na-2H]-	195.04275	141.6
[M]+	174.06753	133.6
[M]-	174.06863	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe