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 173.0
[M+Na]+ 346.21600 179.3
[M-H]- 322.21950 179.4
[M+NH4]+ 341.26060 191.4
[M+K]+ 362.18994 180.0
[M+H-H2O]+ 306.22404 170.1
[M+HCOO]- 368.22498 187.6
[M+CH3COO]- 382.24063 205.8
[M+Na-2H]- 344.20145 173.9
[M]+ 323.22623 176.1
[M]- 323.22733 176.1
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.