CID 22137522

1233955-65-1

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

C1CN(C(=O)OC1)C2CCNCC2

InChI

InChI=1S/C9H16N2O2/c12-9-11(6-1-7-13-9)8-2-4-10-5-3-8/h8,10H,1-7H2

InChIKey

UAMPFCXIVPCTCN-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1,3-oxazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 184.12119 Da
Monoisotopic Mass: 0.4
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]+	185.12847	142.7
[M+Na]+	207.11041	146.1
[M-H]-	183.11391	144.3
[M+NH4]+	202.15501	157.0
[M+K]+	223.08435	144.9
[M+H-H2O]+	167.11845	134.3
[M+HCOO]-	229.11939	155.5
[M+CH3COO]-	243.13504	176.4
[M+Na-2H]-	205.09586	146.8
[M]+	184.12064	133.7
[M]-	184.12174	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe