CID 4988991

410544-52-4

Structural Information

Molecular Formula

C₁₁H₁₇N₃O

SMILES

C1COCCN1C(CN)C2=CN=CC=C2

InChI

InChI=1S/C11H17N3O/c12-8-11(10-2-1-3-13-9-10)14-4-6-15-7-5-14/h1-3,9,11H,4-8,12H2

InChIKey

QSKWIAMIMXGSJN-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-2-pyridin-3-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 109
Patents: 207.13716 Da
Monoisotopic Mass: -0.6
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]+	208.14444	148.2
[M+Na]+	230.12638	159.5
[M+NH4]+	225.17098	156.0
[M+K]+	246.10032	153.8
[M-H]-	206.12988	152.8
[M+Na-2H]-	228.11183	154.9
[M]+	207.13661	150.9
[M]-	207.13771	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe