CID 2794806

578726-67-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

InChI=1S/C10H14N2O/c1-3-12(4-2)10-6-5-9(8-13)7-11-10/h5-8H,3-4H2,1-2H3

InChIKey

PCISUIMHLSRKGR-UHFFFAOYSA-N

Compound name

6-(diethylamino)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 178.11061 Da
Monoisotopic Mass: 1.5
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]+	179.117886	138.5
[M+Na]+	201.099828	146.0
[M-H]-	177.103334	142.2
[M+NH4]+	196.144433	157.8
[M+K]+	217.073768	145.0
[M+H-H2O]+	161.107870	131.3
[M+HCOO]-	223.108811	163.4
[M+CH3COO]-	237.124461	187.6
[M+Na-2H]-	199.085276	145.1
[M]+	178.11006142	140.9
[M]-	178.11115858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe