CID 5324772

1849-53-2

Structural Information

Molecular Formula

SMILES

COC1=C(N=CC=C1)C=O

InChI

InChI=1S/C7H7NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-5H,1H3

InChIKey

GHKILJGWQPBQGL-UHFFFAOYSA-N

Compound name

3-methoxypyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 137.04768 Da
Monoisotopic Mass: 0.6
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]+	138.05496	124.9
[M+Na]+	160.03690	138.6
[M+NH4]+	155.08150	133.3
[M+K]+	176.01084	132.4
[M-H]-	136.04040	126.4
[M+Na-2H]-	158.02235	132.6
[M]+	137.04713	127.2
[M]-	137.04823	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe