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

13
Patents

349.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24971 182.5
[M+Na]+ 372.23165 188.4
[M-H]- 348.23515 187.7
[M+NH4]+ 367.27625 199.7
[M+K]+ 388.20559 188.9
[M+H-H2O]+ 332.23969 177.6
[M+HCOO]- 394.24063 191.8
[M+CH3COO]- 408.25628 214.0
[M+Na-2H]- 370.21710 185.0
[M]+ 349.24188 184.5
[M]- 349.24298 184.5
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

patents stripe