CID 170352267

Tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC1CC(=O)C2(C1)CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO3/c1-9-5-10(15)13(6-9)7-14(8-13)11(16)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
CZDFVEBZCPKNLB-UHFFFAOYSA-N
Compound name
tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

239.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 154.3
[M+Na]+ 262.141368 159.9
[M-H]- 238.144874 158.7
[M+NH4]+ 257.185973 168.7
[M+K]+ 278.115308 161.7
[M+H-H2O]+ 222.149410 145.3
[M+HCOO]- 284.150351 170.8
[M+CH3COO]- 298.166001 193.7
[M+Na-2H]- 260.126816 156.1
[M]+ 239.15160142 163.1
[M]- 239.15269858 163.1
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

No patent data available for this compound.