CID 53393373

Tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

Structural Information

Molecular Formula
C18H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3CCC(C2)N3C(=O)OC(C)(C)C
InChI
InChI=1S/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3
InChIKey
JNHGCLCLMOCPCQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

335.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23406 177.7
[M+Na]+ 358.21600 184.8
[M-H]- 334.21950 183.6
[M+NH4]+ 353.26060 197.4
[M+K]+ 374.18994 185.2
[M+H-H2O]+ 318.22404 174.7
[M+HCOO]- 380.22498 189.6
[M+CH3COO]- 394.24063 210.6
[M+Na-2H]- 356.20145 179.5
[M]+ 335.22623 181.6
[M]- 335.22733 181.6
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

patents stripe