CID 82594956

2060043-14-1

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1OC2=C(O1)C=NC(=C2)CN

InChI

InChI=1S/C7H8N2O2/c8-2-5-1-6-7(3-9-5)11-4-10-6/h1,3H,2,4,8H2

InChIKey

HFVGGZKIYLOLDX-UHFFFAOYSA-N

Compound name

[1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.05858 Da
Monoisotopic Mass: -0.4
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]+	153.06586	128.1
[M+Na]+	175.04780	139.9
[M+NH4]+	170.09240	136.8
[M+K]+	191.02174	137.1
[M-H]-	151.05130	132.5
[M+Na-2H]-	173.03325	132.7
[M]+	152.05803	130.9
[M]-	152.05913	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.