CID 914006

N-(4-pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

C1OC2=C(O1)C=C(C=C2)N=CC3=CC=NC=C3

InChI

InChI=1S/C13H10N2O2/c1-2-12-13(17-9-16-12)7-11(1)15-8-10-3-5-14-6-4-10/h1-8H,9H2

InChIKey

LRUCDCZBQUBQED-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-yl)-1-pyridin-4-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.07423 Da
Monoisotopic Mass: 1.8
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]+	227.081506	146.7
[M+Na]+	249.063448	155.2
[M-H]-	225.066954	155.6
[M+NH4]+	244.108053	163.7
[M+K]+	265.037388	154.2
[M+H-H2O]+	209.071490	138.8
[M+HCOO]-	271.072431	170.6
[M+CH3COO]-	285.088081	160.5
[M+Na-2H]-	247.048896	156.1
[M]+	226.07368142	148.8
[M]-	226.07477858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.