CID 71755723

4-methyl-1-{2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperidine

Structural Information

Molecular Formula
C20H32BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCCN3CCC(CC3)C
InChI
InChI=1S/C20H32BNO3/c1-16-9-11-22(12-10-16)13-14-23-18-8-6-7-17(15-18)21-24-19(2,3)20(4,5)25-21/h6-8,15-16H,9-14H2,1-5H3
InChIKey
HOYXWNQGZKBUHW-UHFFFAOYSA-N
Compound name
4-methyl-1-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.24753 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.25481 182.2
[M+Na]+ 368.23675 187.8
[M-H]- 344.24025 191.2
[M+NH4]+ 363.28135 197.4
[M+K]+ 384.21069 187.1
[M+H-H2O]+ 328.24479 174.5
[M+HCOO]- 390.24573 196.8
[M+CH3COO]- 404.26138 212.6
[M+Na-2H]- 366.22220 182.8
[M]+ 345.24698 183.1
[M]- 345.24808 183.1
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.