CID 84071405

2418658-73-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

C1COC2=C(O1)C=CC(=N2)CN

InChI

InChI=1S/C8H10N2O2/c9-5-6-1-2-7-8(10-6)12-4-3-11-7/h1-2H,3-5,9H2

InChIKey

XVPXGFKGCOWQPI-UHFFFAOYSA-N

Compound name

2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.07423 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]+	167.081506	132.7
[M+Na]+	189.063448	140.2
[M-H]-	165.066954	136.5
[M+NH4]+	184.108053	149.8
[M+K]+	205.037388	140.5
[M+H-H2O]+	149.071490	125.7
[M+HCOO]-	211.072431	152.3
[M+CH3COO]-	225.088081	145.9
[M+Na-2H]-	187.048896	142.9
[M]+	166.07368142	131.5
[M]-	166.07477858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.