CID 10888411

2-(but-3-yn-1-yloxy)benzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

C#CCCOC1=CC=CC=C1C=O

InChI

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

InChIKey

FERKOHGNNVRORC-UHFFFAOYSA-N

Compound name

2-but-3-ynoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 174.06808 Da
Monoisotopic Mass: 2.3
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	136.1
[M+Na]+	197.057298	146.7
[M-H]-	173.060804	138.4
[M+NH4]+	192.101903	154.3
[M+K]+	213.031238	142.6
[M+H-H2O]+	157.065340	124.5
[M+HCOO]-	219.066281	155.0
[M+CH3COO]-	233.081931	188.3
[M+Na-2H]-	195.042746	141.7
[M]+	174.06753142	133.1
[M]-	174.06862858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe