CID 16769501

4-methoxy-3-(pyridin-3-ylmethoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

COC1=C(C=C(C=C1)C=O)OCC2=CN=CC=C2

InChI

InChI=1S/C14H13NO3/c1-17-13-5-4-11(9-16)7-14(13)18-10-12-3-2-6-15-8-12/h2-9H,10H2,1H3

InChIKey

PTCKCSITOQANNI-UHFFFAOYSA-N

Compound name

4-methoxy-3-(pyridin-3-ylmethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 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]+	244.096816	152.6
[M+Na]+	266.078758	161.1
[M-H]-	242.082264	158.2
[M+NH4]+	261.123363	168.6
[M+K]+	282.052698	158.2
[M+H-H2O]+	226.086800	144.1
[M+HCOO]-	288.087741	176.5
[M+CH3COO]-	302.103391	192.2
[M+Na-2H]-	264.064206	159.3
[M]+	243.08899142	156.4
[M]-	243.09008858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.