CID 72208216

Tert-butyl 7-oxo-2-azaspiro[4.4]nonane-2-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC(=O)C2
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-7-6-13(9-14)5-4-10(15)8-13/h4-9H2,1-3H3
InChIKey
KVDDOJNQXATXQE-UHFFFAOYSA-N
Compound name
tert-butyl 8-oxo-2-azaspiro[4.4]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

239.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 158.2
[M+Na]+ 262.141368 164.2
[M-H]- 238.144874 162.2
[M+NH4]+ 257.185973 180.3
[M+K]+ 278.115308 163.1
[M+H-H2O]+ 222.149410 153.4
[M+HCOO]- 284.150351 175.7
[M+CH3COO]- 298.166001 187.9
[M+Na-2H]- 260.126816 159.0
[M]+ 239.15160142 156.3
[M]- 239.15269858 156.3
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