CID 6040

Piperoxan

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

C1CCN(CC1)CC2COC3=CC=CC=C3O2

InChI

InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2

InChIKey

LYKMMUBOEFYJQG-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 196
References: 10989
Patents: 233.14159 Da
Monoisotopic Mass: 2.6
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]+	234.148866	152.7
[M+Na]+	256.130808	156.7
[M-H]-	232.134314	158.5
[M+NH4]+	251.175413	166.8
[M+K]+	272.104748	155.9
[M+H-H2O]+	216.138850	144.0
[M+HCOO]-	278.139791	166.9
[M+CH3COO]-	292.155441	163.3
[M+Na-2H]-	254.116256	159.4
[M]+	233.14104142	148.2
[M]-	233.14213858	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe