CID 51072194

Tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(=O)CC2)CC1
InChI
InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)6-4-12(17)5-7-15/h4-11H2,1-3H3
InChIKey
UXZBTEIHIQFMIT-UHFFFAOYSA-N
Compound name
tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

412
Patents

267.18344 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 164.9
[M+Na]+ 290.17266 168.3
[M-H]- 266.17616 167.7
[M+NH4]+ 285.21726 182.1
[M+K]+ 306.14660 166.9
[M+H-H2O]+ 250.18070 158.3
[M+HCOO]- 312.18164 177.4
[M+CH3COO]- 326.19729 194.5
[M+Na-2H]- 288.15811 167.4
[M]+ 267.18289 159.4
[M]- 267.18399 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

patents stripe