CID 91498694

2095495-27-3

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CCN(CC2C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/c1-14(2,3)21-13(20)19-9-8-17(10-12(17)11-19)18-22-15(4,5)16(6,7)23-18/h12H,8-11H2,1-7H3
InChIKey
GBFVHJWDNSZUNB-UHFFFAOYSA-N
Compound name
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 176.4
[M+Na]+ 346.21600 186.7
[M+NH4]+ 341.26060 187.6
[M+K]+ 362.18994 181.3
[M-H]- 322.21950 186.8
[M+Na-2H]- 344.20145 183.7
[M]+ 323.22623 182.5
[M]- 323.22733 182.5
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