CID 118977754

Tert-butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)CC12CC2
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-4-9(14)8-12(13)5-6-12/h4-8H2,1-3H3
InChIKey
HWIUTXWETZABNE-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

225.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 155.7
[M+Na]+ 248.12571 166.6
[M+NH4]+ 243.17031 164.6
[M+K]+ 264.09965 161.9
[M-H]- 224.12921 162.9
[M+Na-2H]- 246.11116 162.9
[M]+ 225.13594 160.4
[M]- 225.13704 160.4
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