CID 83680190

Tert-butyl 4-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)CCO2
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-7-5-13(6-8-14)10(15)4-9-17-13/h4-9H2,1-3H3
InChIKey
DXERLBFKDLTNKK-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

255.14706 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 158.4
[M+Na]+ 278.13628 163.6
[M-H]- 254.13978 162.6
[M+NH4]+ 273.18088 176.8
[M+K]+ 294.11022 164.0
[M+H-H2O]+ 238.14432 153.1
[M+HCOO]- 300.14526 173.1
[M+CH3COO]- 314.16091 190.2
[M+Na-2H]- 276.12173 161.7
[M]+ 255.14651 156.5
[M]- 255.14761 156.5
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