CID 6485567

114483-63-5

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

C1=CC=C(C(=C1)C=O)OCC2=CN=CC=C2

InChI

InChI=1S/C13H11NO2/c15-9-12-5-1-2-6-13(12)16-10-11-4-3-7-14-8-11/h1-9H,10H2

InChIKey

NSLNYNOSOATOMH-UHFFFAOYSA-N

Compound name

2-(pyridin-3-ylmethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 213.07898 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]+	214.086256	145.0
[M+Na]+	236.068198	153.2
[M-H]-	212.071704	150.3
[M+NH4]+	231.112803	162.0
[M+K]+	252.042138	149.8
[M+H-H2O]+	196.076240	136.7
[M+HCOO]-	258.077181	169.0
[M+CH3COO]-	272.092831	186.0
[M+Na-2H]-	234.053646	153.0
[M]+	213.07843142	146.7
[M]-	213.07952858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe