CID 2735449

70918-00-2

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₃

SMILES

C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2

InChIKey

FLUPDJNTYCSBJZ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 106
Patents: 248.11609 Da
Monoisotopic Mass: 0.7
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]+	249.12337	157.2
[M+Na]+	271.10531	169.1
[M+NH4]+	266.14991	164.6
[M+K]+	287.07925	163.9
[M-H]-	247.10881	162.1
[M+Na-2H]-	269.09076	161.4
[M]+	248.11554	160.1
[M]-	248.11664	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe