CID 203100

13887-56-4

Structural Information

Molecular Formula

C₁₅H₁₉NO₆

SMILES

C1COCCN1C(=O)OCC(C2COC3=CC=CC=C3O2)O

InChI

InChI=1S/C15H19NO6/c17-11(9-21-15(18)16-5-7-19-8-6-16)14-10-20-12-3-1-2-4-13(12)22-14/h1-4,11,14,17H,5-10H2

InChIKey

BXAMNJMZOGPUMG-UHFFFAOYSA-N

Compound name

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] morpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.12125 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]+	310.128526	169.3
[M+Na]+	332.110468	171.9
[M-H]-	308.113974	174.4
[M+NH4]+	327.155073	177.7
[M+K]+	348.084408	173.9
[M+H-H2O]+	292.118510	160.5
[M+HCOO]-	354.119451	179.6
[M+CH3COO]-	368.135101	199.4
[M+Na-2H]-	330.095916	173.7
[M]+	309.12070142	167.8
[M]-	309.12179858	167.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.