CID 55296956

1,4-dioxa-8-azaspiro[4.5]decan-7-one

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C1CNC(=O)CC12OCCO2

InChI

InChI=1S/C7H11NO3/c9-6-5-7(1-2-8-6)10-3-4-11-7/h1-5H2,(H,8,9)

InChIKey

IMAKOYSQAGRALB-UHFFFAOYSA-N

Compound name

1,4-dioxa-8-azaspiro[4.5]decan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 157.0739 Da
Monoisotopic Mass: -0.9
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]+	158.081176	130.6
[M+Na]+	180.063118	136.5
[M-H]-	156.066624	134.1
[M+NH4]+	175.107723	150.3
[M+K]+	196.037058	137.3
[M+H-H2O]+	140.071160	125.1
[M+HCOO]-	202.072101	146.9
[M+CH3COO]-	216.087751	168.1
[M+Na-2H]-	178.048566	137.7
[M]+	157.07335142	125.3
[M]-	157.07444858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe