CID 164510838

2784646-68-8

Structural Information

Molecular Formula
C20H34BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C4CCN(C4)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H34BNO4/c1-16(2,3)24-15(23)22-9-8-14(10-22)19-11-20(12-19,13-19)21-25-17(4,5)18(6,7)26-21/h14H,8-13H2,1-7H3
InChIKey
WEMXQLOACMRYBO-UHFFFAOYSA-N
Compound name
tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.2581 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.26538 187.6
[M+Na]+ 386.24732 188.5
[M-H]- 362.25082 194.7
[M+NH4]+ 381.29192 190.8
[M+K]+ 402.22126 194.4
[M+H-H2O]+ 346.25536 178.9
[M+HCOO]- 408.25630 192.8
[M+CH3COO]- 422.27195 233.4
[M+Na-2H]- 384.23277 188.7
[M]+ 363.25755 213.6
[M]- 363.25865 213.6
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.