CID 22914650

1211587-25-5

Structural Information

Molecular Formula

SMILES

CCOC1=NC=CC(=C1)C=O

InChI

InChI=1S/C8H9NO2/c1-2-11-8-5-7(6-10)3-4-9-8/h3-6H,2H2,1H3

InChIKey

JNDJQCGMRNGGQA-UHFFFAOYSA-N

Compound name

2-ethoxypyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 151.06332 Da
Monoisotopic Mass: 1.4
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]+	152.070596	128.1
[M+Na]+	174.052538	137.2
[M-H]-	150.056044	130.7
[M+NH4]+	169.097143	148.2
[M+K]+	190.026478	135.9
[M+H-H2O]+	134.060580	121.8
[M+HCOO]-	196.061521	152.4
[M+CH3COO]-	210.077171	175.2
[M+Na-2H]-	172.037986	136.3
[M]+	151.06277142	130.8
[M]-	151.06386858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe