CID 131407351

Tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)CC2(C1)CC2
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-9(14)6-12(8-13)4-5-12/h4-8H2,1-3H3
InChIKey
NJOCEAANVCIAFD-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

225.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 157.2
[M+Na]+ 248.125708 165.3
[M-H]- 224.129214 162.1
[M+NH4]+ 243.170313 171.8
[M+K]+ 264.099648 163.9
[M+H-H2O]+ 208.133750 151.7
[M+HCOO]- 270.134691 173.5
[M+CH3COO]- 284.150341 190.2
[M+Na-2H]- 246.111156 161.6
[M]+ 225.13594142 158.8
[M]- 225.13703858 158.8
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