CID 165836815

Tert-butyl 4-oxo-2-azaspiro[5.5]undecane-2-carboxylate

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)CC2(C1)CCCCC2
InChI
InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-10-12(17)9-15(11-16)7-5-4-6-8-15/h4-11H2,1-3H3
InChIKey
ZWYBDWGBQUKOPS-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-2-azaspiro[5.5]undecane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.190716 164.9
[M+Na]+ 290.172658 168.3
[M-H]- 266.176164 167.7
[M+NH4]+ 285.217263 182.1
[M+K]+ 306.146598 166.9
[M+H-H2O]+ 250.180700 158.3
[M+HCOO]- 312.181641 177.4
[M+CH3COO]- 326.197291 194.5
[M+Na-2H]- 288.158106 167.4
[M]+ 267.18289142 159.4
[M]- 267.18398858 159.4
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

No patent data available for this compound.