CID 3152148

227017-95-0

Structural Information

Molecular Formula

C₁₃H₂₁N₃O

SMILES

C1COCCN1CCCNCC2=CC=NC=C2

InChI

InChI=1S/C13H21N3O/c1(7-16-8-10-17-11-9-16)4-15-12-13-2-5-14-6-3-13/h2-3,5-6,15H,1,4,7-12H2

InChIKey

BWNMZQLUQBOZKU-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 235.16846 Da
Monoisotopic Mass: 0.2
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]+	236.175736	155.8
[M+Na]+	258.157678	158.8
[M-H]-	234.161184	158.5
[M+NH4]+	253.202283	168.4
[M+K]+	274.131618	156.8
[M+H-H2O]+	218.165720	145.8
[M+HCOO]-	280.166661	173.8
[M+CH3COO]-	294.182311	192.3
[M+Na-2H]-	256.143126	162.5
[M]+	235.16791142	152.4
[M]-	235.16900858	152.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.