CID 165753520

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

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-11-9-13(12-19)8-10-18-22-16(4,5)17(6,7)23-18/h8,10,13H,9,11-12H2,1-7H3/b10-8+
InChIKey
WOELOEBASHUFRO-CSKARUKUSA-N
Compound name
tert-butyl 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 174.1
[M+Na]+ 346.21600 180.9
[M+NH4]+ 341.26060 181.9
[M+K]+ 362.18994 178.3
[M-H]- 322.21950 175.9
[M+Na-2H]- 344.20145 176.8
[M]+ 323.22623 175.6
[M]- 323.22733 175.6
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.