CID 349043

1-oxa-3-azaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CCC2(CC1)CNC(=O)O2
InChI
InChI=1S/C8H13NO2/c10-7-9-6-8(11-7)4-2-1-3-5-8/h1-6H2,(H,9,10)
InChIKey
JSKHUKHPFPVCJW-UHFFFAOYSA-N
Compound name
1-oxa-3-azaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

155.09464 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe