CID 125130377

2351276-13-4

Structural Information

Molecular Formula
C19H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC2)CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H32BNO4/c1-16(2,3)23-15(22)21-12-19(13-21)10-8-14(9-11-19)20-24-17(4,5)18(6,7)25-20/h8H,9-13H2,1-7H3
InChIKey
OBAKEZZPFOSNAK-UHFFFAOYSA-N
Compound name
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-azaspiro[3.5]non-6-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

349.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24971 176.7
[M+Na]+ 372.23165 181.4
[M-H]- 348.23515 184.9
[M+NH4]+ 367.27625 188.1
[M+K]+ 388.20559 185.3
[M+H-H2O]+ 332.23969 168.8
[M+HCOO]- 394.24063 187.9
[M+CH3COO]- 408.25628 213.9
[M+Na-2H]- 370.21710 179.6
[M]+ 349.24188 187.3
[M]- 349.24298 187.3
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