CID 71669039

3-oxa-1,7-diazaspiro[4.4]nonan-2-one hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CNCC12COC(=O)N2

InChI

InChI=1S/C6H10N2O2/c9-5-8-6(4-10-5)1-2-7-3-6/h7H,1-4H2,(H,8,9)

InChIKey

KGMHCFJLIMETNO-UHFFFAOYSA-N

Compound name

3-oxa-1,7-diazaspiro[4.4]nonan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.07423 Da
Monoisotopic Mass: -0.7
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]+	143.081506	129.0
[M+Na]+	165.063448	135.7
[M-H]-	141.066954	129.6
[M+NH4]+	160.108053	150.4
[M+K]+	181.037388	134.6
[M+H-H2O]+	125.071490	123.3
[M+HCOO]-	187.072431	145.8
[M+CH3COO]-	201.088081	141.3
[M+Na-2H]-	163.048896	133.5
[M]+	142.07368142	122.2
[M]-	142.07477858	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.