CID 15651199

4-oxa-1-azabicyclo[3.3.1]nonan-6-one

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CN2CCOC(C2)C1=O

InChI

InChI=1S/C7H11NO2/c9-6-1-2-8-3-4-10-7(6)5-8/h7H,1-5H2

InChIKey

XVWDJAQXVZKSOV-UHFFFAOYSA-N

Compound name

4-oxa-1-azabicyclo[3.3.1]nonan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 141.07898 Da
Monoisotopic Mass: -0.5
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]+	142.08626	127.8
[M+Na]+	164.06820	139.2
[M+NH4]+	159.11280	137.2
[M+K]+	180.04214	133.5
[M-H]-	140.07170	130.0
[M+Na-2H]-	162.05365	130.8
[M]+	141.07843	129.9
[M]-	141.07953	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe