CID 23818810

35980-77-9

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

C1COCCN1C2=NC=CC(=C2)N

InChI

InChI=1S/C9H13N3O/c10-8-1-2-11-9(7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2,(H2,10,11)

InChIKey

ZSXQDGMZXKOADT-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylpyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 179.10587 Da
Monoisotopic Mass: 0.3
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]+	180.113146	139.1
[M+Na]+	202.095088	145.0
[M-H]-	178.098594	142.6
[M+NH4]+	197.139693	154.2
[M+K]+	218.069028	143.6
[M+H-H2O]+	162.103130	130.4
[M+HCOO]-	224.104071	157.9
[M+CH3COO]-	238.119721	150.8
[M+Na-2H]-	200.080536	146.2
[M]+	179.10532142	133.9
[M]-	179.10641858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe