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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	378.281016	194.0
[M+Na]+	400.262958	194.6
[M-H]-	376.266464	200.4
[M+NH4]+	395.307563	195.4
[M+K]+	416.236898	201.2
[M+H-H2O]+	360.271000	182.9
[M+HCOO]-	422.271941	197.3
[M+CH3COO]-	436.287591	235.9
[M+Na-2H]-	398.248406	195.4
[M]+	377.27319142	218.8
[M]-	377.27428858	218.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.