CID 1897533

5651-86-5

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

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

InChI

InChI=1S/C10H8O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6,8H,7H2

InChIKey

GSSBOYWRKTVVQX-UHFFFAOYSA-N

Compound name

4-prop-2-ynoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 228
Patents: 160.05243 Da
Monoisotopic Mass: 1.9
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]+	161.05971	132.7
[M+Na]+	183.04165	145.7
[M+NH4]+	178.08625	137.6
[M+K]+	199.01559	135.9
[M-H]-	159.04515	126.7
[M+Na-2H]-	181.02710	137.0
[M]+	160.05188	132.0
[M]-	160.05298	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe