CID 75478915

8-oxa-2-azaspiro[4.5]decan-1-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CNC(=O)C12CCOCC2
InChI
InChI=1S/C8H13NO2/c10-7-8(1-4-9-7)2-5-11-6-3-8/h1-6H2,(H,9,10)
InChIKey
ILDSGCMBFCWJOI-UHFFFAOYSA-N
Compound name
8-oxa-2-azaspiro[4.5]decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

155.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.8
[M+Na]+ 178.08386 138.3
[M-H]- 154.08736 135.6
[M+NH4]+ 173.12846 154.0
[M+K]+ 194.05780 137.4
[M+H-H2O]+ 138.09190 127.1
[M+HCOO]- 200.09284 149.6
[M+CH3COO]- 214.10849 168.8
[M+Na-2H]- 176.06931 138.5
[M]+ 155.09409 125.8
[M]- 155.09519 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe