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]+ 226.14377 157.2
[M+Na]+ 248.12571 165.3
[M-H]- 224.12921 162.1
[M+NH4]+ 243.17031 171.8
[M+K]+ 264.09965 163.9
[M+H-H2O]+ 208.13375 151.7
[M+HCOO]- 270.13469 173.5
[M+CH3COO]- 284.15034 190.2
[M+Na-2H]- 246.11116 161.6
[M]+ 225.13594 158.8
[M]- 225.13704 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