CID 3152379

626209-60-7

Structural Information

Molecular Formula

C₁₂H₁₉N₃O

SMILES

C1COCCN1CCNCC2=CC=NC=C2

InChI

InChI=1S/C12H19N3O/c1-3-13-4-2-12(1)11-14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-11H2

InChIKey

UQENBVFJDLCEFW-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 221.15282 Da
Monoisotopic Mass: -0.1
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]+	222.160096	151.3
[M+Na]+	244.142038	154.9
[M-H]-	220.145544	154.3
[M+NH4]+	239.186643	164.5
[M+K]+	260.115978	153.1
[M+H-H2O]+	204.150080	141.6
[M+HCOO]-	266.151021	169.7
[M+CH3COO]-	280.166671	189.3
[M+Na-2H]-	242.127486	158.6
[M]+	221.15227142	147.6
[M]-	221.15336858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe