CID 137963889

2365173-53-9

Structural Information

Molecular Formula
C19H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C2CC3CCC(C2)N3C(=O)OC(C)(C)C
InChI
InChI=1S/C19H32BNO4/c1-17(2,3)23-16(22)21-14-8-9-15(21)11-13(10-14)12-20-24-18(4,5)19(6,7)25-20/h12,14-15H,8-11H2,1-7H3
InChIKey
JPEHIYFQBVVDEI-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24971 181.8
[M+Na]+ 372.23165 188.4
[M+NH4]+ 367.27625 190.5
[M+K]+ 388.20559 185.3
[M-H]- 348.23515 183.4
[M+Na-2H]- 370.21710 182.1
[M]+ 349.24188 183.2
[M]- 349.24298 183.2
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.