CID 58179695

951259-25-9

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CCC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-11-8-9-13(10-12-19)18-22-16(4,5)17(6,7)23-18/h10H,8-9,11-12H2,1-7H3
InChIKey
IGCLFRZDEQPRFX-UHFFFAOYSA-N
Compound name
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 174.4
[M+Na]+ 346.21600 181.2
[M+NH4]+ 341.26060 181.8
[M+K]+ 362.18994 178.0
[M-H]- 322.21950 176.9
[M+Na-2H]- 344.20145 178.5
[M]+ 323.22623 176.3
[M]- 323.22733 176.3
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