CID 67294492

1313034-25-1

Structural Information

Molecular Formula
C19H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3CCCC(C2)N3C(=O)OC(C)(C)C
InChI
InChI=1S/C19H32BNO4/c1-17(2,3)23-16(22)21-14-9-8-10-15(21)12-13(11-14)20-24-18(4,5)19(6,7)25-20/h11,14-15H,8-10,12H2,1-7H3
InChIKey
RSGQFHBJPKBGTP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

349.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24971 182.3
[M+Na]+ 372.23165 190.9
[M+NH4]+ 367.27625 191.6
[M+K]+ 388.20559 185.4
[M-H]- 348.23515 185.2
[M+Na-2H]- 370.21710 184.4
[M]+ 349.24188 184.6
[M]- 349.24298 184.6
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