CID 90046547

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

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCCC2=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-12(8-13)6-4-5-9(12)14/h4-8H2,1-3H3
InChIKey
FSQCOXNAAOYWHE-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

225.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 150.3
[M+Na]+ 248.12571 155.5
[M-H]- 224.12921 154.5
[M+NH4]+ 243.17031 165.0
[M+K]+ 264.09965 157.6
[M+H-H2O]+ 208.13375 141.1
[M+HCOO]- 270.13469 167.2
[M+CH3COO]- 284.15034 189.7
[M+Na-2H]- 246.11116 153.2
[M]+ 225.13594 158.4
[M]- 225.13704 158.4
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