CID 84819373

2820191-51-1

Structural Information

Molecular Formula
C17H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H32BNO4/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/h13H,8-12H2,1-7H3
InChIKey
WUFUQJHXYZAEER-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)azepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24971 169.1
[M+Na]+ 348.23165 172.4
[M-H]- 324.23515 175.8
[M+NH4]+ 343.27625 184.1
[M+K]+ 364.20559 176.6
[M+H-H2O]+ 308.23969 163.7
[M+HCOO]- 370.24063 180.7
[M+CH3COO]- 384.25628 207.8
[M+Na-2H]- 346.21710 170.7
[M]+ 325.24188 167.2
[M]- 325.24298 167.2
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

No patent data available for this compound.