CID 130024600

4-ethynyl-2-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₉H₆O₂

SMILES

C#CC1=CC(=C(C=C1)C=O)O

InChI

InChI=1S/C9H6O2/c1-2-7-3-4-8(6-10)9(11)5-7/h1,3-6,11H

InChIKey

SFXZYVWOUZAKRL-UHFFFAOYSA-N

Compound name

4-ethynyl-2-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 146.03677 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]+	147.04405	127.9
[M+Na]+	169.02599	141.0
[M+NH4]+	164.07059	132.7
[M+K]+	184.99993	131.9
[M-H]-	145.02949	121.5
[M+Na-2H]-	167.01144	131.8
[M]+	146.03622	127.1
[M]-	146.03732	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe