CID 131415568

Tert-butyl 8-oxo-6-azaspiro[3.5]nonane-6-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)CC2(C1)CCC2
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-10(15)7-13(9-14)5-4-6-13/h4-9H2,1-3H3
InChIKey
CRXRNRPIJSYCAO-UHFFFAOYSA-N
Compound name
tert-butyl 8-oxo-6-azaspiro[3.5]nonane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.15215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 154.5
[M+Na]+ 262.141368 158.7
[M-H]- 238.144874 158.1
[M+NH4]+ 257.185973 166.7
[M+K]+ 278.115308 160.8
[M+H-H2O]+ 222.149410 144.2
[M+HCOO]- 284.150351 168.9
[M+CH3COO]- 298.166001 193.0
[M+Na-2H]- 260.126816 158.1
[M]+ 239.15160142 160.9
[M]- 239.15269858 160.9
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