CID 137949345

Tert-butyl 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-azaspiro[2.5]octane-6-carboxylate

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC23CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-15(2,3)22-14(21)20-10-8-18(9-11-20)12-13(18)19-23-16(4,5)17(6,7)24-19/h13H,8-12H2,1-7H3
InChIKey
LJVYZAZJGZJQND-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-azaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24971 177.6
[M+Na]+ 360.23165 185.2
[M-H]- 336.23515 186.4
[M+NH4]+ 355.27625 191.0
[M+K]+ 376.20559 187.6
[M+H-H2O]+ 320.23969 174.4
[M+HCOO]- 382.24063 188.1
[M+CH3COO]- 396.25628 211.3
[M+Na-2H]- 358.21710 180.8
[M]+ 337.24188 182.5
[M]- 337.24298 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

No patent data available for this compound.