CID 155819687

Tert-butyl 1,1-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

Structural Information

Molecular Formula
C17H28BF2NO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2C3(C2(F)F)CCN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H28BF2NO4/c1-13(2,3)23-12(22)21-9-8-16(10-21)11(17(16,19)20)18-24-14(4,5)15(6,7)25-18/h11H,8-10H2,1-7H3
InChIKey
JDMHCSQIBXORBW-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-difluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-azaspiro[2.4]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.20795 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21523 169.1
[M+Na]+ 382.19717 179.4
[M-H]- 358.20067 176.4
[M+NH4]+ 377.24177 185.4
[M+K]+ 398.17111 181.3
[M+H-H2O]+ 342.20521 167.6
[M+HCOO]- 404.20615 179.5
[M+CH3COO]- 418.22180 214.3
[M+Na-2H]- 380.18262 172.5
[M]+ 359.20740 174.8
[M]- 359.20850 174.8
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.