CID 45787288

Tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H28BNO4/c1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16/h11H,8-10H2,1-7H3
InChIKey
YADHEMOTVPFRIU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21843 164.9
[M+Na]+ 320.20037 171.6
[M-H]- 296.20387 171.5
[M+NH4]+ 315.24497 184.4
[M+K]+ 336.17431 173.4
[M+H-H2O]+ 280.20841 162.2
[M+HCOO]- 342.20935 179.9
[M+CH3COO]- 356.22500 201.4
[M+Na-2H]- 318.18582 166.8
[M]+ 297.21060 168.1
[M]- 297.21170 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.