CID 86692451

1373148-09-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C1COCCC1C2=NC=C(C=C2)N

InChI

InChI=1S/C10H14N2O/c11-9-1-2-10(12-7-9)8-3-5-13-6-4-8/h1-2,7-8H,3-6,11H2

InChIKey

AVILKEXHTHNAIW-UHFFFAOYSA-N

Compound name

6-(oxan-4-yl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 178.11061 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]+	179.117886	138.7
[M+Na]+	201.099828	144.2
[M-H]-	177.103334	143.6
[M+NH4]+	196.144433	155.2
[M+K]+	217.073768	142.7
[M+H-H2O]+	161.107870	130.9
[M+HCOO]-	223.108811	158.6
[M+CH3COO]-	237.124461	150.8
[M+Na-2H]-	199.085276	145.4
[M]+	178.11006142	133.3
[M]-	178.11115858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe