CID 18525779

1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine

Structural Information

Molecular Formula
C18H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCCCC3
InChI
InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-10-8-15(9-11-16)14-20-12-6-5-7-13-20/h8-11H,5-7,12-14H2,1-4H3
InChIKey
HJKVRMHVLINDRH-UHFFFAOYSA-N
Compound name
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

301.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22858 171.0
[M+Na]+ 324.21052 176.7
[M-H]- 300.21402 179.9
[M+NH4]+ 319.25512 187.7
[M+K]+ 340.18446 175.7
[M+H-H2O]+ 284.21856 163.4
[M+HCOO]- 346.21950 186.1
[M+CH3COO]- 360.23515 181.9
[M+Na-2H]- 322.19597 172.9
[M]+ 301.22075 169.3
[M]- 301.22185 169.3
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

patents stripe