CID 165739600

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

Structural Information

Molecular Formula
C18H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC3)N(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H30BNO4/c1-15(2,3)22-14(21)20-12-13(8-9-18(20)10-11-18)19-23-16(4,5)17(6,7)24-19/h8H,9-12H2,1-7H3
InChIKey
SZZBMYPOSSSIBW-UHFFFAOYSA-N
Compound name
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-azaspiro[2.5]oct-6-ene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23406 176.2
[M+Na]+ 358.21600 184.8
[M-H]- 334.21950 185.5
[M+NH4]+ 353.26060 189.9
[M+K]+ 374.18994 187.1
[M+H-H2O]+ 318.22404 172.9
[M+HCOO]- 380.22498 188.2
[M+CH3COO]- 394.24063 210.8
[M+Na-2H]- 356.20145 180.3
[M]+ 335.22623 182.6
[M]- 335.22733 182.6
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.