CID 53974132

31191-06-7

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CN(C)C1=CN=C(C=C1)C=O

InChI

InChI=1S/C8H10N2O/c1-10(2)8-4-3-7(6-11)9-5-8/h3-6H,1-2H3

InChIKey

JTRWCDQGOOUVRG-UHFFFAOYSA-N

Compound name

5-(dimethylamino)pyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 150.07932 Da
Monoisotopic Mass: 0.8
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]+	151.08660	129.1
[M+Na]+	173.06854	137.5
[M-H]-	149.07204	133.2
[M+NH4]+	168.11314	149.6
[M+K]+	189.04248	137.0
[M+H-H2O]+	133.07658	122.3
[M+HCOO]-	195.07752	154.7
[M+CH3COO]-	209.09317	181.5
[M+Na-2H]-	171.05399	136.9
[M]+	150.07877	130.8
[M]-	150.07987	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe