CID 155858444

2580214-16-8

Structural Information

Molecular Formula
C15H23F2NO3
SMILES
CC(C)(C)OC(=O)N1CCCC(=O)C12CCC(CC2)(F)F
InChI
InChI=1S/C15H23F2NO3/c1-13(2,3)21-12(20)18-10-4-5-11(19)14(18)6-8-15(16,17)9-7-14/h4-10H2,1-3H3
InChIKey
GMTAYJDXEQYBSR-UHFFFAOYSA-N
Compound name
tert-butyl 9,9-difluoro-5-oxo-1-azaspiro[5.5]undecane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1646 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17188 169.5
[M+Na]+ 326.15382 175.0
[M-H]- 302.15732 170.2
[M+NH4]+ 321.19842 187.5
[M+K]+ 342.12776 173.2
[M+H-H2O]+ 286.16186 162.1
[M+HCOO]- 348.16280 179.9
[M+CH3COO]- 362.17845 200.8
[M+Na-2H]- 324.13927 171.6
[M]+ 303.16405 162.6
[M]- 303.16515 162.6
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.