CID 155894150

Tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC3(C2)CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/c1-14(2,3)21-13(20)19-10-17(11-19)8-12(9-17)18-22-15(4,5)16(6,7)23-18/h12H,8-11H2,1-7H3
InChIKey
LSMJYWFESKCTKF-UHFFFAOYSA-N
Compound name
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-azaspiro[3.3]heptane-2-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 163.4
[M+Na]+ 346.21600 166.8
[M-H]- 322.21950 171.5
[M+NH4]+ 341.26060 169.2
[M+K]+ 362.18994 173.2
[M+H-H2O]+ 306.22404 153.9
[M+HCOO]- 368.22498 174.2
[M+CH3COO]- 382.24063 216.5
[M+Na-2H]- 344.20145 166.5
[M]+ 323.22623 182.7
[M]- 323.22733 182.7
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.