CID 10678762

1,4-dioxa-8-azaspiro[4.6]undecan-9-one

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1CC2(CCNC1=O)OCCO2

InChI

InChI=1S/C8H13NO3/c10-7-1-2-8(3-4-9-7)11-5-6-12-8/h1-6H2,(H,9,10)

InChIKey

CVWBIIGVZBJDDC-UHFFFAOYSA-N

Compound name

1,4-dioxa-9-azaspiro[4.6]undecan-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 171.08954 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]+	172.096816	131.4
[M+Na]+	194.078758	135.0
[M-H]-	170.082264	135.7
[M+NH4]+	189.123363	149.0
[M+K]+	210.052698	138.2
[M+H-H2O]+	154.086800	125.3
[M+HCOO]-	216.087741	146.7
[M+CH3COO]-	230.103391	142.9
[M+Na-2H]-	192.064206	137.4
[M]+	171.08899142	123.3
[M]-	171.09008858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe