CID 57493827

Tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CCO2
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-7-5-14(6-8-15)10-11(16)4-9-18-14/h4-10H2,1-3H3
InChIKey
OGPIVLKPBUTGSD-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

269.16272 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 162.5
[M+Na]+ 292.15194 166.4
[M-H]- 268.15544 166.1
[M+NH4]+ 287.19654 178.3
[M+K]+ 308.12588 166.8
[M+H-H2O]+ 252.15998 156.0
[M+HCOO]- 314.16092 174.7
[M+CH3COO]- 328.17657 193.8
[M+Na-2H]- 290.13739 166.6
[M]+ 269.16217 158.8
[M]- 269.16327 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

literature stripe

Patent stripe

patents stripe