CID 55265572

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

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CNCCC12CCOC2=O
InChI
InChI=1S/C8H13NO2/c10-7-8(3-6-11-7)1-4-9-5-2-8/h9H,1-6H2
InChIKey
HZLUMDLSMBEFMQ-UHFFFAOYSA-N
Compound name
2-oxa-8-azaspiro[4.5]decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

155.09464 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

patents stripe