CID 165598491

2792201-23-9

Structural Information

Molecular Formula

SMILES

C1COC(=O)C12CNC2

InChI

InChI=1S/C6H9NO2/c8-5-6(1-2-9-5)3-7-4-6/h7H,1-4H2

InChIKey

FAZJZHMVFZKXSP-UHFFFAOYSA-N

Compound name

6-oxa-2-azaspiro[3.4]octan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 127.06333 Da
Monoisotopic Mass: -0.6
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]+	128.07061	117.8
[M+Na]+	150.05255	123.9
[M-H]-	126.05605	121.5
[M+NH4]+	145.09715	134.0
[M+K]+	166.02649	126.6
[M+H-H2O]+	110.06059	108.8
[M+HCOO]-	172.06153	136.5
[M+CH3COO]-	186.07718	168.1
[M+Na-2H]-	148.03800	125.3
[M]+	127.06278	122.8
[M]-	127.06388	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.