CID 83670284

Tert-butyl 6,6-difluoro-2,8-diazaspiro[4.5]decane-2-carboxylate

Structural Information

Molecular Formula
C13H22F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCNCC2(F)F
InChI
InChI=1S/C13H22F2N2O2/c1-11(2,3)19-10(18)17-7-5-12(9-17)4-6-16-8-13(12,14)15/h16H,4-9H2,1-3H3
InChIKey
KKXKVSHFCXABJD-UHFFFAOYSA-N
Compound name
tert-butyl 6,6-difluoro-2,8-diazaspiro[4.5]decane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16495 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17223 164.7
[M+Na]+ 299.15417 170.4
[M-H]- 275.15767 163.0
[M+NH4]+ 294.19877 183.5
[M+K]+ 315.12811 167.8
[M+H-H2O]+ 259.16221 157.3
[M+HCOO]- 321.16315 174.8
[M+CH3COO]- 335.17880 192.1
[M+Na-2H]- 297.13962 166.2
[M]+ 276.16440 156.7
[M]- 276.16550 156.7
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.