CID 16227513

4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine hydrate hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CNCCC1C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H17NO3/c16-14(10-3-5-15-6-4-10)11-1-2-12-13(9-11)18-8-7-17-12/h1-2,9-10,15H,3-8H2

InChIKey

DYUQTSPDXNGKOK-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 247.12085 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]+	248.128126	155.2
[M+Na]+	270.110068	158.7
[M-H]-	246.113574	159.7
[M+NH4]+	265.154673	167.8
[M+K]+	286.084008	157.5
[M+H-H2O]+	230.118110	146.8
[M+HCOO]-	292.119051	167.3
[M+CH3COO]-	306.134701	165.0
[M+Na-2H]-	268.095516	160.4
[M]+	247.12030142	149.1
[M]-	247.12139858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe