CID 2890

Cx546

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2

InChIKey

LJUNPHMOGNFFOS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 63
References: 238
Patents: 247.12085 Da
Monoisotopic Mass: 1.1
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	155.1
[M+Na]+	270.110068	159.0
[M-H]-	246.113574	161.0
[M+NH4]+	265.154673	168.4
[M+K]+	286.084008	158.8
[M+H-H2O]+	230.118110	146.5
[M+HCOO]-	292.119051	168.7
[M+CH3COO]-	306.134701	165.6
[M+Na-2H]-	268.095516	160.7
[M]+	247.12030142	150.7
[M]-	247.12139858	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe