CID 132398972

Tert-butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC3CCC2N3C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-11-8-9-13(19)12(10-11)18-22-16(4,5)17(6,7)23-18/h11-13H,8-10H2,1-7H3
InChIKey
LNPLYXHKIVTDJN-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 172.3
[M+Na]+ 346.21600 178.3
[M+NH4]+ 341.26060 181.4
[M+K]+ 362.18994 178.0
[M-H]- 322.21950 173.6
[M+Na-2H]- 344.20145 172.6
[M]+ 323.22623 173.6
[M]- 323.22733 173.6
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.