CID 2776463

6-(morpholin-4-yl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1COCCN1C2=NC=C(C=C2)C=O

InChI

InChI=1S/C10H12N2O2/c13-8-9-1-2-10(11-7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2

InChIKey

VZEANTSDLFVWCK-UHFFFAOYSA-N

Compound name

6-morpholin-4-ylpyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 192.08987 Da
Monoisotopic Mass: 0.4
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]+	193.097146	140.9
[M+Na]+	215.079088	147.4
[M-H]-	191.082594	144.8
[M+NH4]+	210.123693	155.8
[M+K]+	231.053028	146.2
[M+H-H2O]+	175.087130	132.1
[M+HCOO]-	237.088071	159.3
[M+CH3COO]-	251.103721	180.7
[M+Na-2H]-	213.064536	148.1
[M]+	192.08932142	138.3
[M]-	192.09041858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe