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]+ 324.234056 163.4
[M+Na]+ 346.215998 166.8
[M-H]- 322.219504 171.5
[M+NH4]+ 341.260603 169.2
[M+K]+ 362.189938 173.2
[M+H-H2O]+ 306.224040 153.9
[M+HCOO]- 368.224981 174.2
[M+CH3COO]- 382.240631 216.5
[M+Na-2H]- 344.201446 166.5
[M]+ 323.22623142 182.7
[M]- 323.22732858 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.