CID 4677419

4-(pyridin-3-yloxy)benzaldehyde

Structural Information

Molecular Formula

C₁₂H₉NO₂

SMILES

C1=CC(=CN=C1)OC2=CC=C(C=C2)C=O

InChI

InChI=1S/C12H9NO2/c14-9-10-3-5-11(6-4-10)15-12-2-1-7-13-8-12/h1-9H

InChIKey

VNZCKMVWWJJZIL-UHFFFAOYSA-N

Compound name

4-pyridin-3-yloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 199.06332 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]+	200.070596	140.3
[M+Na]+	222.052538	149.0
[M-H]-	198.056044	145.9
[M+NH4]+	217.097143	157.9
[M+K]+	238.026478	145.8
[M+H-H2O]+	182.060580	132.3
[M+HCOO]-	244.061521	164.7
[M+CH3COO]-	258.077171	183.0
[M+Na-2H]-	220.037986	148.9
[M]+	199.06277142	141.7
[M]-	199.06386858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe