CID 164510874

2826263-67-4

Structural Information

Molecular Formula
C21H36BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C4CCN(CC4)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H36BNO4/c1-17(2,3)25-16(24)23-10-8-15(9-11-23)20-12-21(13-20,14-20)22-26-18(4,5)19(6,7)27-22/h15H,8-14H2,1-7H3
InChIKey
XXULTEGEWQRKSK-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.27374 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.28102 194.0
[M+Na]+ 400.26296 194.6
[M-H]- 376.26646 200.4
[M+NH4]+ 395.30756 195.4
[M+K]+ 416.23690 201.2
[M+H-H2O]+ 360.27100 182.9
[M+HCOO]- 422.27194 197.3
[M+CH3COO]- 436.28759 235.9
[M+Na-2H]- 398.24841 195.4
[M]+ 377.27319 218.8
[M]- 377.27429 218.8
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.