CID 83379874

2361676-53-9

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CNCC12CC(=O)CO2

InChI

InChI=1S/C7H11NO2/c9-6-3-7(10-4-6)1-2-8-5-7/h8H,1-5H2

InChIKey

UZCNOYBENADOAP-UHFFFAOYSA-N

Compound name

1-oxa-7-azaspiro[4.4]nonan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 141.07898 Da
Monoisotopic Mass: -0.8
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	128.9
[M+Na]+	164.06820	135.6
[M-H]-	140.07170	132.1
[M+NH4]+	159.11280	152.4
[M+K]+	180.04214	135.1
[M+H-H2O]+	124.07624	123.9
[M+HCOO]-	186.07718	148.1
[M+CH3COO]-	200.09283	165.9
[M+Na-2H]-	162.05365	133.6
[M]+	141.07843	123.7
[M]-	141.07953	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe