CID 130769444

9-oxa-6-azaspiro[4.5]decan-7-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CCC2(C1)COCC(=O)N2
InChI
InChI=1S/C8H13NO2/c10-7-5-11-6-8(9-7)3-1-2-4-8/h1-6H2,(H,9,10)
InChIKey
JPQRHWZCJFWPDG-UHFFFAOYSA-N
Compound name
9-oxa-6-azaspiro[4.5]decan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.8
[M+Na]+ 178.083858 138.3
[M-H]- 154.087364 135.6
[M+NH4]+ 173.128463 154.0
[M+K]+ 194.057798 137.4
[M+H-H2O]+ 138.091900 127.1
[M+HCOO]- 200.092841 149.6
[M+CH3COO]- 214.108491 168.8
[M+Na-2H]- 176.069306 138.5
[M]+ 155.09409142 125.8
[M]- 155.09518858 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

literature stripe

Patent stripe

patents stripe