CID 82412796

1-oxa-9-azaspiro[5.5]undecan-4-one hydrochloride

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

C1COC2(CCNCC2)CC1=O

InChI

InChI=1S/C9H15NO2/c11-8-1-6-12-9(7-8)2-4-10-5-3-9/h10H,1-7H2

InChIKey

WCHPMAPLPYLRCY-UHFFFAOYSA-N

Compound name

1-oxa-9-azaspiro[5.5]undecan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 169.11028 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]+	170.11756	139.2
[M+Na]+	192.09950	149.5
[M+NH4]+	187.14410	149.2
[M+K]+	208.07344	142.0
[M-H]-	168.10300	142.5
[M+Na-2H]-	190.08495	144.9
[M]+	169.10973	141.5
[M]-	169.11083	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe